data_5904 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5904 _Entry.Title ; NMR study of inhibitor-1a - a protein inhibitor of protein phosphatase-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-18 _Entry.Accession_date 2003-08-18 _Entry.Last_release_date 2005-05-25 _Entry.Original_release_date 2005-05-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chan-Kuang Liu . . . 5904 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5904 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 5904 '15N chemical shifts' 101 5904 '1H chemical shifts' 484 5904 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-05-25 2003-08-18 original author . 5904 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5904 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR study of inhibitor-1a - a protein inhibitor of protein phosphatase-1' _Citation.Status published _Citation.Type thesis _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution 'Univ. of Yang-Ming' _Citation.Thesis_institution_city Taipei _Citation.Thesis_institution_country Taiwan _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chan-Kuang Liu . . . 5904 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_I-1a _Assembly.Sf_category assembly _Assembly.Sf_framecode system_I-1a _Assembly.Entry_ID 5904 _Assembly.ID 1 _Assembly.Name inhibitor-1a _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5904 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 inhibitor-1a 1 $I1-a . . . native . . . . . 5904 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID I-1a abbreviation 5904 1 inhibitor-1a system 5904 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_I1-a _Entity.Sf_category entity _Entity.Sf_framecode I1-a _Entity.Entry_ID 5904 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name inhibitor-1a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEQDNSPRKIQFTVPLLEPH LDPEAAEQIRRRRPTPATLV LTSDQSSPEIDEDRIPNPHL KSTLAMSPRQRKKMTRITPT MKEKTAECIPKTHERGSKEP STKEPSTHIPPLDSKGANSV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAC85737 . "unnamed protein product [Homo sapiens]" . . . . . 50.83 153 100.00 100.00 5.25e-33 . . . . 5904 1 2 no REF XP_005269052 . "PREDICTED: protein phosphatase 1 regulatory subunit 1A isoform X2 [Homo sapiens]" . . . . . 100.00 119 99.17 99.17 7.46e-76 . . . . 5904 1 3 no REF XP_006719534 . "PREDICTED: protein phosphatase 1 regulatory subunit 1A isoform X3 [Homo sapiens]" . . . . . 50.83 132 100.00 100.00 1.95e-33 . . . . 5904 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID I1-a abbreviation 5904 1 inhibitor-1a common 5904 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5904 1 2 . GLU . 5904 1 3 . GLN . 5904 1 4 . ASP . 5904 1 5 . ASN . 5904 1 6 . SER . 5904 1 7 . PRO . 5904 1 8 . ARG . 5904 1 9 . LYS . 5904 1 10 . ILE . 5904 1 11 . GLN . 5904 1 12 . PHE . 5904 1 13 . THR . 5904 1 14 . VAL . 5904 1 15 . PRO . 5904 1 16 . LEU . 5904 1 17 . LEU . 5904 1 18 . GLU . 5904 1 19 . PRO . 5904 1 20 . HIS . 5904 1 21 . LEU . 5904 1 22 . ASP . 5904 1 23 . PRO . 5904 1 24 . GLU . 5904 1 25 . ALA . 5904 1 26 . ALA . 5904 1 27 . GLU . 5904 1 28 . GLN . 5904 1 29 . ILE . 5904 1 30 . ARG . 5904 1 31 . ARG . 5904 1 32 . ARG . 5904 1 33 . ARG . 5904 1 34 . PRO . 5904 1 35 . THR . 5904 1 36 . PRO . 5904 1 37 . ALA . 5904 1 38 . THR . 5904 1 39 . LEU . 5904 1 40 . VAL . 5904 1 41 . LEU . 5904 1 42 . THR . 5904 1 43 . SER . 5904 1 44 . ASP . 5904 1 45 . GLN . 5904 1 46 . SER . 5904 1 47 . SER . 5904 1 48 . PRO . 5904 1 49 . GLU . 5904 1 50 . ILE . 5904 1 51 . ASP . 5904 1 52 . GLU . 5904 1 53 . ASP . 5904 1 54 . ARG . 5904 1 55 . ILE . 5904 1 56 . PRO . 5904 1 57 . ASN . 5904 1 58 . PRO . 5904 1 59 . HIS . 5904 1 60 . LEU . 5904 1 61 . LYS . 5904 1 62 . SER . 5904 1 63 . THR . 5904 1 64 . LEU . 5904 1 65 . ALA . 5904 1 66 . MET . 5904 1 67 . SER . 5904 1 68 . PRO . 5904 1 69 . ARG . 5904 1 70 . GLN . 5904 1 71 . ARG . 5904 1 72 . LYS . 5904 1 73 . LYS . 5904 1 74 . MET . 5904 1 75 . THR . 5904 1 76 . ARG . 5904 1 77 . ILE . 5904 1 78 . THR . 5904 1 79 . PRO . 5904 1 80 . THR . 5904 1 81 . MET . 5904 1 82 . LYS . 5904 1 83 . GLU . 5904 1 84 . LYS . 5904 1 85 . THR . 5904 1 86 . ALA . 5904 1 87 . GLU . 5904 1 88 . CYS . 5904 1 89 . ILE . 5904 1 90 . PRO . 5904 1 91 . LYS . 5904 1 92 . THR . 5904 1 93 . HIS . 5904 1 94 . GLU . 5904 1 95 . ARG . 5904 1 96 . GLY . 5904 1 97 . SER . 5904 1 98 . LYS . 5904 1 99 . GLU . 5904 1 100 . PRO . 5904 1 101 . SER . 5904 1 102 . THR . 5904 1 103 . LYS . 5904 1 104 . GLU . 5904 1 105 . PRO . 5904 1 106 . SER . 5904 1 107 . THR . 5904 1 108 . HIS . 5904 1 109 . ILE . 5904 1 110 . PRO . 5904 1 111 . PRO . 5904 1 112 . LEU . 5904 1 113 . ASP . 5904 1 114 . SER . 5904 1 115 . LYS . 5904 1 116 . GLY . 5904 1 117 . ALA . 5904 1 118 . ASN . 5904 1 119 . SER . 5904 1 120 . VAL . 5904 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5904 1 . GLU 2 2 5904 1 . GLN 3 3 5904 1 . ASP 4 4 5904 1 . ASN 5 5 5904 1 . SER 6 6 5904 1 . PRO 7 7 5904 1 . ARG 8 8 5904 1 . LYS 9 9 5904 1 . ILE 10 10 5904 1 . GLN 11 11 5904 1 . PHE 12 12 5904 1 . THR 13 13 5904 1 . VAL 14 14 5904 1 . PRO 15 15 5904 1 . LEU 16 16 5904 1 . LEU 17 17 5904 1 . GLU 18 18 5904 1 . PRO 19 19 5904 1 . HIS 20 20 5904 1 . LEU 21 21 5904 1 . ASP 22 22 5904 1 . PRO 23 23 5904 1 . GLU 24 24 5904 1 . ALA 25 25 5904 1 . ALA 26 26 5904 1 . GLU 27 27 5904 1 . GLN 28 28 5904 1 . ILE 29 29 5904 1 . ARG 30 30 5904 1 . ARG 31 31 5904 1 . ARG 32 32 5904 1 . ARG 33 33 5904 1 . PRO 34 34 5904 1 . THR 35 35 5904 1 . PRO 36 36 5904 1 . ALA 37 37 5904 1 . THR 38 38 5904 1 . LEU 39 39 5904 1 . VAL 40 40 5904 1 . LEU 41 41 5904 1 . THR 42 42 5904 1 . SER 43 43 5904 1 . ASP 44 44 5904 1 . GLN 45 45 5904 1 . SER 46 46 5904 1 . SER 47 47 5904 1 . PRO 48 48 5904 1 . GLU 49 49 5904 1 . ILE 50 50 5904 1 . ASP 51 51 5904 1 . GLU 52 52 5904 1 . ASP 53 53 5904 1 . ARG 54 54 5904 1 . ILE 55 55 5904 1 . PRO 56 56 5904 1 . ASN 57 57 5904 1 . PRO 58 58 5904 1 . HIS 59 59 5904 1 . LEU 60 60 5904 1 . LYS 61 61 5904 1 . SER 62 62 5904 1 . THR 63 63 5904 1 . LEU 64 64 5904 1 . ALA 65 65 5904 1 . MET 66 66 5904 1 . SER 67 67 5904 1 . PRO 68 68 5904 1 . ARG 69 69 5904 1 . GLN 70 70 5904 1 . ARG 71 71 5904 1 . LYS 72 72 5904 1 . LYS 73 73 5904 1 . MET 74 74 5904 1 . THR 75 75 5904 1 . ARG 76 76 5904 1 . ILE 77 77 5904 1 . THR 78 78 5904 1 . PRO 79 79 5904 1 . THR 80 80 5904 1 . MET 81 81 5904 1 . LYS 82 82 5904 1 . GLU 83 83 5904 1 . LYS 84 84 5904 1 . THR 85 85 5904 1 . ALA 86 86 5904 1 . GLU 87 87 5904 1 . CYS 88 88 5904 1 . ILE 89 89 5904 1 . PRO 90 90 5904 1 . LYS 91 91 5904 1 . THR 92 92 5904 1 . HIS 93 93 5904 1 . GLU 94 94 5904 1 . ARG 95 95 5904 1 . GLY 96 96 5904 1 . SER 97 97 5904 1 . LYS 98 98 5904 1 . GLU 99 99 5904 1 . PRO 100 100 5904 1 . SER 101 101 5904 1 . THR 102 102 5904 1 . LYS 103 103 5904 1 . GLU 104 104 5904 1 . PRO 105 105 5904 1 . SER 106 106 5904 1 . THR 107 107 5904 1 . HIS 108 108 5904 1 . ILE 109 109 5904 1 . PRO 110 110 5904 1 . PRO 111 111 5904 1 . LEU 112 112 5904 1 . ASP 113 113 5904 1 . SER 114 114 5904 1 . LYS 115 115 5904 1 . GLY 116 116 5904 1 . ALA 117 117 5904 1 . ASN 118 118 5904 1 . SER 119 119 5904 1 . VAL 120 120 5904 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5904 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $I1-a . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5904 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5904 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $I1-a . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 5904 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 inhibitor-1a '[U-15N; U-13C]' . . 1 $I1-a . . 2 . . mM . . . . 5904 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond _Sample_condition_list.Entry_ID 5904 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 pH 5904 1 temperature 293 1 K 5904 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5904 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5904 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 5904 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5904 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 8 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 9 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 10 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5904 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5904 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5904 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5904 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5904 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5904 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5904 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample . 5904 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.34 0.2 . 1 . . . . . . . . 5904 1 2 . 1 1 2 2 GLU HB2 H 1 1.92 0.2 . 2 . . . . . . . . 5904 1 3 . 1 1 2 2 GLU HB3 H 1 2.06 0.2 . 2 . . . . . . . . 5904 1 4 . 1 1 2 2 GLU HG2 H 1 2.27 0.2 . 1 . . . . . . . . 5904 1 5 . 1 1 2 2 GLU C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 6 . 1 1 2 2 GLU CA C 13 56.4 0.5 . 1 . . . . . . . . 5904 1 7 . 1 1 2 2 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 5904 1 8 . 1 1 2 2 GLU CG C 13 35.5 0.5 . 1 . . . . . . . . 5904 1 9 . 1 1 3 3 GLN H H 1 8.62 0.2 . 1 . . . . . . . . 5904 1 10 . 1 1 3 3 GLN HA H 1 4.25 0.2 . 1 . . . . . . . . 5904 1 11 . 1 1 3 3 GLN HB2 H 1 1.97 0.2 . 2 . . . . . . . . 5904 1 12 . 1 1 3 3 GLN HB3 H 1 2.06 0.2 . 2 . . . . . . . . 5904 1 13 . 1 1 3 3 GLN HG2 H 1 2.33 0.2 . 2 . . . . . . . . 5904 1 14 . 1 1 3 3 GLN C C 13 175.5 0.5 . 1 . . . . . . . . 5904 1 15 . 1 1 3 3 GLN CA C 13 55.6 0.5 . 1 . . . . . . . . 5904 1 16 . 1 1 3 3 GLN CB C 13 29.1 0.5 . 1 . . . . . . . . 5904 1 17 . 1 1 3 3 GLN CG C 13 33.4 0.5 . 1 . . . . . . . . 5904 1 18 . 1 1 3 3 GLN N N 15 121.6 0.5 . 1 . . . . . . . . 5904 1 19 . 1 1 4 4 ASP H H 1 8.45 0.2 . 1 . . . . . . . . 5904 1 20 . 1 1 4 4 ASP HA H 1 4.57 0.2 . 1 . . . . . . . . 5904 1 21 . 1 1 4 4 ASP HB2 H 1 2.66 0.2 . 2 . . . . . . . . 5904 1 22 . 1 1 4 4 ASP C C 13 176.4 0.5 . 1 . . . . . . . . 5904 1 23 . 1 1 4 4 ASP CA C 13 54.0 0.5 . 1 . . . . . . . . 5904 1 24 . 1 1 4 4 ASP CB C 13 40.5 0.5 . 1 . . . . . . . . 5904 1 25 . 1 1 4 4 ASP N N 15 121.9 0.5 . 1 . . . . . . . . 5904 1 26 . 1 1 5 5 ASN H H 1 8.46 0.2 . 1 . . . . . . . . 5904 1 27 . 1 1 5 5 ASN HA H 1 4.57 0.2 . 1 . . . . . . . . 5904 1 28 . 1 1 5 5 ASN HB2 H 1 2.77 0.2 . 2 . . . . . . . . 5904 1 29 . 1 1 5 5 ASN C C 13 175.1 0.5 . 1 . . . . . . . . 5904 1 30 . 1 1 5 5 ASN CA C 13 52.6 0.5 . 1 . . . . . . . . 5904 1 31 . 1 1 5 5 ASN CB C 13 38.3 0.5 . 1 . . . . . . . . 5904 1 32 . 1 1 5 5 ASN N N 15 120.1 0.5 . 1 . . . . . . . . 5904 1 33 . 1 1 6 6 SER H H 1 8.25 0.2 . 1 . . . . . . . . 5904 1 34 . 1 1 6 6 SER C C 13 172.7 0.5 . 1 . . . . . . . . 5904 1 35 . 1 1 6 6 SER CA C 13 56.8 0.5 . 1 . . . . . . . . 5904 1 36 . 1 1 6 6 SER CB C 13 62.7 0.5 . 1 . . . . . . . . 5904 1 37 . 1 1 6 6 SER N N 15 117.6 0.5 . 1 . . . . . . . . 5904 1 38 . 1 1 7 7 PRO HA H 1 4.41 0.2 . 1 . . . . . . . . 5904 1 39 . 1 1 7 7 PRO HB2 H 1 1.87 0.2 . 2 . . . . . . . . 5904 1 40 . 1 1 7 7 PRO C C 13 176.5 0.5 . 1 . . . . . . . . 5904 1 41 . 1 1 7 7 PRO CA C 13 63.1 0.5 . 1 . . . . . . . . 5904 1 42 . 1 1 7 7 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 43 . 1 1 8 8 ARG H H 1 8.35 0.2 . 1 . . . . . . . . 5904 1 44 . 1 1 8 8 ARG HA H 1 4.36 0.2 . 1 . . . . . . . . 5904 1 45 . 1 1 8 8 ARG HB2 H 1 1.78 0.2 . 2 . . . . . . . . 5904 1 46 . 1 1 8 8 ARG HG2 H 1 1.69 0.2 . 2 . . . . . . . . 5904 1 47 . 1 1 8 8 ARG HD2 H 1 3.17 0.2 . 2 . . . . . . . . 5904 1 48 . 1 1 8 8 ARG C C 13 176.2 0.5 . 1 . . . . . . . . 5904 1 49 . 1 1 8 8 ARG CA C 13 55.7 0.5 . 1 . . . . . . . . 5904 1 50 . 1 1 8 8 ARG CB C 13 30.2 0.5 . 1 . . . . . . . . 5904 1 51 . 1 1 8 8 ARG CG C 13 26.8 0.5 . 1 . . . . . . . . 5904 1 52 . 1 1 8 8 ARG N N 15 121.3 0.5 . 1 . . . . . . . . 5904 1 53 . 1 1 9 9 LYS H H 1 8.32 0.2 . 1 . . . . . . . . 5904 1 54 . 1 1 9 9 LYS HA H 1 4.28 0.2 . 1 . . . . . . . . 5904 1 55 . 1 1 9 9 LYS HB2 H 1 1.73 0.2 . 2 . . . . . . . . 5904 1 56 . 1 1 9 9 LYS HG2 H 1 1.66 0.2 . 2 . . . . . . . . 5904 1 57 . 1 1 9 9 LYS C C 13 176.4 0.5 . 1 . . . . . . . . 5904 1 58 . 1 1 9 9 LYS CA C 13 55.9 0.5 . 1 . . . . . . . . 5904 1 59 . 1 1 9 9 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 5904 1 60 . 1 1 9 9 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 5904 1 61 . 1 1 9 9 LYS CD C 13 28.8 0.5 . 1 . . . . . . . . 5904 1 62 . 1 1 9 9 LYS N N 15 123.2 0.5 . 1 . . . . . . . . 5904 1 63 . 1 1 10 10 ILE H H 1 8.18 0.2 . 1 . . . . . . . . 5904 1 64 . 1 1 10 10 ILE HA H 1 4.14 0.2 . 1 . . . . . . . . 5904 1 65 . 1 1 10 10 ILE HB H 1 1.81 0.2 . 1 . . . . . . . . 5904 1 66 . 1 1 10 10 ILE HG12 H 1 0.63 0.2 . 2 . . . . . . . . 5904 1 67 . 1 1 10 10 ILE HD11 H 1 0.86 0.2 . 1 . . . . . . . . 5904 1 68 . 1 1 10 10 ILE HD12 H 1 0.86 0.2 . 1 . . . . . . . . 5904 1 69 . 1 1 10 10 ILE HD13 H 1 0.86 0.2 . 1 . . . . . . . . 5904 1 70 . 1 1 10 10 ILE C C 13 175.9 0.5 . 1 . . . . . . . . 5904 1 71 . 1 1 10 10 ILE CA C 13 60.7 0.5 . 1 . . . . . . . . 5904 1 72 . 1 1 10 10 ILE CB C 13 38.1 0.5 . 1 . . . . . . . . 5904 1 73 . 1 1 10 10 ILE CG1 C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 74 . 1 1 10 10 ILE N N 15 122.9 0.5 . 1 . . . . . . . . 5904 1 75 . 1 1 11 11 GLN H H 1 8.40 0.2 . 1 . . . . . . . . 5904 1 76 . 1 1 11 11 GLN HA H 1 4.28 0.2 . 1 . . . . . . . . 5904 1 77 . 1 1 11 11 GLN HB2 H 1 1.88 0.2 . 2 . . . . . . . . 5904 1 78 . 1 1 11 11 GLN HG2 H 1 2.65 0.2 . 2 . . . . . . . . 5904 1 79 . 1 1 11 11 GLN C C 13 175.5 0.5 . 1 . . . . . . . . 5904 1 80 . 1 1 11 11 GLN CA C 13 53.9 0.5 . 1 . . . . . . . . 5904 1 81 . 1 1 11 11 GLN CB C 13 28.9 0.5 . 1 . . . . . . . . 5904 1 82 . 1 1 11 11 GLN CG C 13 33.4 0.5 . 1 . . . . . . . . 5904 1 83 . 1 1 11 11 GLN N N 15 124.6 0.5 . 1 . . . . . . . . 5904 1 84 . 1 1 12 12 PHE H H 1 8.17 0.2 . 1 . . . . . . . . 5904 1 85 . 1 1 12 12 PHE HA H 1 4.68 0.2 . 1 . . . . . . . . 5904 1 86 . 1 1 12 12 PHE HB2 H 1 2.99 0.2 . 2 . . . . . . . . 5904 1 87 . 1 1 12 12 PHE C C 13 175.5 0.5 . 1 . . . . . . . . 5904 1 88 . 1 1 12 12 PHE CA C 13 57.3 0.5 . 1 . . . . . . . . 5904 1 89 . 1 1 12 12 PHE CB C 13 39.2 0.5 . 1 . . . . . . . . 5904 1 90 . 1 1 12 12 PHE N N 15 122.1 0.5 . 1 . . . . . . . . 5904 1 91 . 1 1 13 13 THR H H 1 8.13 0.2 . 1 . . . . . . . . 5904 1 92 . 1 1 13 13 THR HA H 1 4.29 0.2 . 1 . . . . . . . . 5904 1 93 . 1 1 13 13 THR HB H 1 4.06 0.2 . 1 . . . . . . . . 5904 1 94 . 1 1 13 13 THR HG21 H 1 1.11 0.2 . 1 . . . . . . . . 5904 1 95 . 1 1 13 13 THR HG22 H 1 1.11 0.2 . 1 . . . . . . . . 5904 1 96 . 1 1 13 13 THR HG23 H 1 1.11 0.2 . 1 . . . . . . . . 5904 1 97 . 1 1 13 13 THR C C 13 173.7 0.5 . 1 . . . . . . . . 5904 1 98 . 1 1 13 13 THR CA C 13 61.3 0.5 . 1 . . . . . . . . 5904 1 99 . 1 1 13 13 THR CB C 13 69.6 0.5 . 1 . . . . . . . . 5904 1 100 . 1 1 13 13 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5904 1 101 . 1 1 13 13 THR N N 15 117.1 0.5 . 1 . . . . . . . . 5904 1 102 . 1 1 14 14 VAL H H 1 8.17 0.2 . 1 . . . . . . . . 5904 1 103 . 1 1 14 14 VAL HA H 1 3.95 0.2 . 1 . . . . . . . . 5904 1 104 . 1 1 14 14 VAL HB H 1 2.04 0.2 . 1 . . . . . . . . 5904 1 105 . 1 1 14 14 VAL HG11 H 1 0.92 0.2 . 2 . . . . . . . . 5904 1 106 . 1 1 14 14 VAL HG12 H 1 0.92 0.2 . 2 . . . . . . . . 5904 1 107 . 1 1 14 14 VAL HG13 H 1 0.92 0.2 . 2 . . . . . . . . 5904 1 108 . 1 1 14 14 VAL C C 13 174.2 0.5 . 1 . . . . . . . . 5904 1 109 . 1 1 14 14 VAL CA C 13 59.6 0.5 . 1 . . . . . . . . 5904 1 110 . 1 1 14 14 VAL CB C 13 31.9 0.5 . 1 . . . . . . . . 5904 1 111 . 1 1 14 14 VAL N N 15 124.1 0.5 . 1 . . . . . . . . 5904 1 112 . 1 1 15 15 PRO HA H 1 4.36 0.2 . 1 . . . . . . . . 5904 1 113 . 1 1 15 15 PRO HB2 H 1 1.81 0.2 . 2 . . . . . . . . 5904 1 114 . 1 1 15 15 PRO HB3 H 1 2.25 0.2 . 2 . . . . . . . . 5904 1 115 . 1 1 15 15 PRO C C 13 176.5 0.5 . 1 . . . . . . . . 5904 1 116 . 1 1 15 15 PRO CA C 13 62.7 0.5 . 1 . . . . . . . . 5904 1 117 . 1 1 15 15 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 118 . 1 1 15 15 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 5904 1 119 . 1 1 16 16 LEU H H 1 8.27 0.2 . 1 . . . . . . . . 5904 1 120 . 1 1 16 16 LEU HA H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 121 . 1 1 16 16 LEU HB2 H 1 1.54 0.2 . 2 . . . . . . . . 5904 1 122 . 1 1 16 16 LEU C C 13 177.1 0.5 . 1 . . . . . . . . 5904 1 123 . 1 1 16 16 LEU CA C 13 54.8 0.5 . 1 . . . . . . . . 5904 1 124 . 1 1 16 16 LEU CB C 13 42.0 0.5 . 1 . . . . . . . . 5904 1 125 . 1 1 16 16 LEU CG C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 126 . 1 1 16 16 LEU N N 15 122.6 0.5 . 1 . . . . . . . . 5904 1 127 . 1 1 17 17 LEU H H 1 8.21 0.2 . 1 . . . . . . . . 5904 1 128 . 1 1 17 17 LEU HA H 1 4.35 0.2 . 1 . . . . . . . . 5904 1 129 . 1 1 17 17 LEU HB2 H 1 1.54 0.2 . 2 . . . . . . . . 5904 1 130 . 1 1 17 17 LEU HG H 1 1.55 0.2 . 1 . . . . . . . . 5904 1 131 . 1 1 17 17 LEU C C 13 176.8 0.5 . 1 . . . . . . . . 5904 1 132 . 1 1 17 17 LEU CA C 13 54.6 0.5 . 1 . . . . . . . . 5904 1 133 . 1 1 17 17 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 5904 1 134 . 1 1 17 17 LEU CG C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 135 . 1 1 17 17 LEU N N 15 123.5 0.5 . 1 . . . . . . . . 5904 1 136 . 1 1 18 18 GLU H H 1 8.27 0.2 . 1 . . . . . . . . 5904 1 137 . 1 1 18 18 GLU HA H 1 4.54 0.2 . 1 . . . . . . . . 5904 1 138 . 1 1 18 18 GLU HB2 H 1 1.84 0.2 . 2 . . . . . . . . 5904 1 139 . 1 1 18 18 GLU HG2 H 1 2.22 0.2 . 2 . . . . . . . . 5904 1 140 . 1 1 18 18 GLU C C 13 177.1 0.5 . 1 . . . . . . . . 5904 1 141 . 1 1 18 18 GLU CA C 13 54.8 0.5 . 1 . . . . . . . . 5904 1 142 . 1 1 18 18 GLU CB C 13 29.3 0.5 . 1 . . . . . . . . 5904 1 143 . 1 1 18 18 GLU N N 15 122.6 0.5 . 1 . . . . . . . . 5904 1 144 . 1 1 19 19 PRO HA H 1 4.34 0.2 . 1 . . . . . . . . 5904 1 145 . 1 1 19 19 PRO HB2 H 1 1.77 0.2 . 2 . . . . . . . . 5904 1 146 . 1 1 19 19 PRO HB3 H 1 2.22 0.2 . 2 . . . . . . . . 5904 1 147 . 1 1 19 19 PRO C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 148 . 1 1 19 19 PRO CA C 13 62.8 0.5 . 1 . . . . . . . . 5904 1 149 . 1 1 19 19 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 150 . 1 1 19 19 PRO CG C 13 26.8 0.5 . 1 . . . . . . . . 5904 1 151 . 1 1 20 20 HIS H H 1 8.62 0.2 . 1 . . . . . . . . 5904 1 152 . 1 1 20 20 HIS HA H 1 4.64 0.2 . 1 . . . . . . . . 5904 1 153 . 1 1 20 20 HIS HB2 H 1 3.17 0.2 . 2 . . . . . . . . 5904 1 154 . 1 1 20 20 HIS HB3 H 1 3.27 0.2 . 2 . . . . . . . . 5904 1 155 . 1 1 20 20 HIS C C 13 174.1 0.5 . 1 . . . . . . . . 5904 1 156 . 1 1 20 20 HIS CA C 13 54.9 0.5 . 1 . . . . . . . . 5904 1 157 . 1 1 20 20 HIS CB C 13 28.4 0.5 . 1 . . . . . . . . 5904 1 158 . 1 1 20 20 HIS N N 15 118.8 0.5 . 1 . . . . . . . . 5904 1 159 . 1 1 21 21 LEU H H 1 8.27 0.2 . 1 . . . . . . . . 5904 1 160 . 1 1 21 21 LEU HA H 1 4.33 0.2 . 1 . . . . . . . . 5904 1 161 . 1 1 21 21 LEU HB2 H 1 1.50 0.2 . 2 . . . . . . . . 5904 1 162 . 1 1 21 21 LEU HG H 1 1.44 0.2 . 1 . . . . . . . . 5904 1 163 . 1 1 21 21 LEU C C 13 176.5 0.5 . 1 . . . . . . . . 5904 1 164 . 1 1 21 21 LEU CA C 13 54.4 0.5 . 1 . . . . . . . . 5904 1 165 . 1 1 21 21 LEU CB C 13 42.1 0.5 . 1 . . . . . . . . 5904 1 166 . 1 1 21 21 LEU CG C 13 26.5 0.5 . 1 . . . . . . . . 5904 1 167 . 1 1 21 21 LEU CD1 C 13 24.5 0.5 . 1 . . . . . . . . 5904 1 168 . 1 1 21 21 LEU N N 15 124.4 0.5 . 1 . . . . . . . . 5904 1 169 . 1 1 22 22 ASP H H 1 8.46 0.2 . 1 . . . . . . . . 5904 1 170 . 1 1 22 22 ASP C C 13 174.8 0.5 . 1 . . . . . . . . 5904 1 171 . 1 1 22 22 ASP CA C 13 51.9 0.5 . 1 . . . . . . . . 5904 1 172 . 1 1 22 22 ASP CB C 13 40.5 0.5 . 1 . . . . . . . . 5904 1 173 . 1 1 22 22 ASP N N 15 123.5 0.5 . 1 . . . . . . . . 5904 1 174 . 1 1 23 23 PRO HA H 1 4.33 0.2 . 1 . . . . . . . . 5904 1 175 . 1 1 23 23 PRO HB2 H 1 1.95 0.2 . 2 . . . . . . . . 5904 1 176 . 1 1 23 23 PRO HB3 H 1 2.31 0.2 . 2 . . . . . . . . 5904 1 177 . 1 1 23 23 PRO C C 13 178.0 0.5 . 1 . . . . . . . . 5904 1 178 . 1 1 23 23 PRO CA C 13 63.0 0.5 . 1 . . . . . . . . 5904 1 179 . 1 1 23 23 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 180 . 1 1 23 23 PRO CG C 13 27.1 0.5 . 1 . . . . . . . . 5904 1 181 . 1 1 24 24 GLU H H 1 8.45 0.2 . 1 . . . . . . . . 5904 1 182 . 1 1 24 24 GLU HA H 1 4.19 0.2 . 1 . . . . . . . . 5904 1 183 . 1 1 24 24 GLU HB2 H 1 2.01 0.2 . 2 . . . . . . . . 5904 1 184 . 1 1 24 24 GLU C C 13 177.3 0.5 . 1 . . . . . . . . 5904 1 185 . 1 1 24 24 GLU CA C 13 57.1 0.5 . 1 . . . . . . . . 5904 1 186 . 1 1 24 24 GLU CB C 13 28.8 0.5 . 1 . . . . . . . . 5904 1 187 . 1 1 24 24 GLU CG C 13 36.1 0.5 . 1 . . . . . . . . 5904 1 188 . 1 1 24 24 GLU N N 15 118.9 0.5 . 1 . . . . . . . . 5904 1 189 . 1 1 25 25 ALA H H 1 8.20 0.2 . 1 . . . . . . . . 5904 1 190 . 1 1 25 25 ALA HA H 1 4.20 0.2 . 1 . . . . . . . . 5904 1 191 . 1 1 25 25 ALA HB1 H 1 1.43 0.2 . 1 . . . . . . . . 5904 1 192 . 1 1 25 25 ALA HB2 H 1 1.43 0.2 . 1 . . . . . . . . 5904 1 193 . 1 1 25 25 ALA HB3 H 1 1.43 0.2 . 1 . . . . . . . . 5904 1 194 . 1 1 25 25 ALA C C 13 178.8 0.5 . 1 . . . . . . . . 5904 1 195 . 1 1 25 25 ALA CA C 13 53.1 0.5 . 1 . . . . . . . . 5904 1 196 . 1 1 25 25 ALA CB C 13 18.3 0.5 . 1 . . . . . . . . 5904 1 197 . 1 1 25 25 ALA N N 15 124.0 0.5 . 1 . . . . . . . . 5904 1 198 . 1 1 26 26 ALA H H 1 8.25 0.2 . 1 . . . . . . . . 5904 1 199 . 1 1 26 26 ALA HA H 1 4.13 0.2 . 1 . . . . . . . . 5904 1 200 . 1 1 26 26 ALA HB1 H 1 1.39 0.2 . 1 . . . . . . . . 5904 1 201 . 1 1 26 26 ALA HB2 H 1 1.39 0.2 . 1 . . . . . . . . 5904 1 202 . 1 1 26 26 ALA HB3 H 1 1.39 0.2 . 1 . . . . . . . . 5904 1 203 . 1 1 26 26 ALA C C 13 179.0 0.5 . 1 . . . . . . . . 5904 1 204 . 1 1 26 26 ALA CA C 13 53.4 0.5 . 1 . . . . . . . . 5904 1 205 . 1 1 26 26 ALA CB C 13 18.1 0.5 . 1 . . . . . . . . 5904 1 206 . 1 1 26 26 ALA N N 15 121.9 0.5 . 1 . . . . . . . . 5904 1 207 . 1 1 27 27 GLU H H 1 8.20 0.2 . 1 . . . . . . . . 5904 1 208 . 1 1 27 27 GLU HA H 1 4.15 0.2 . 1 . . . . . . . . 5904 1 209 . 1 1 27 27 GLU HB2 H 1 2.02 0.2 . 2 . . . . . . . . 5904 1 210 . 1 1 27 27 GLU HG2 H 1 2.29 0.2 . 2 . . . . . . . . 5904 1 211 . 1 1 27 27 GLU C C 13 177.3 0.5 . 1 . . . . . . . . 5904 1 212 . 1 1 27 27 GLU CA C 13 57.3 0.5 . 1 . . . . . . . . 5904 1 213 . 1 1 27 27 GLU CB C 13 29.0 0.5 . 1 . . . . . . . . 5904 1 214 . 1 1 27 27 GLU CG C 13 35.6 0.5 . 1 . . . . . . . . 5904 1 215 . 1 1 27 27 GLU N N 15 118.8 0.5 . 1 . . . . . . . . 5904 1 216 . 1 1 28 28 GLN H H 1 8.07 0.2 . 1 . . . . . . . . 5904 1 217 . 1 1 28 28 GLN HA H 1 4.15 0.2 . 1 . . . . . . . . 5904 1 218 . 1 1 28 28 GLN HB2 H 1 2.07 0.2 . 2 . . . . . . . . 5904 1 219 . 1 1 28 28 GLN HG2 H 1 2.37 0.2 . 2 . . . . . . . . 5904 1 220 . 1 1 28 28 GLN C C 13 177.2 0.5 . 1 . . . . . . . . 5904 1 221 . 1 1 28 28 GLN CA C 13 56.8 0.5 . 1 . . . . . . . . 5904 1 222 . 1 1 28 28 GLN CB C 13 28.3 0.5 . 1 . . . . . . . . 5904 1 223 . 1 1 28 28 GLN CG C 13 33.6 0.5 . 1 . . . . . . . . 5904 1 224 . 1 1 28 28 GLN N N 15 119.4 0.5 . 1 . . . . . . . . 5904 1 225 . 1 1 29 29 ILE H H 1 7.90 0.2 . 1 . . . . . . . . 5904 1 226 . 1 1 29 29 ILE HA H 1 3.94 0.2 . 1 . . . . . . . . 5904 1 227 . 1 1 29 29 ILE HB H 1 1.85 0.2 . 1 . . . . . . . . 5904 1 228 . 1 1 29 29 ILE HG12 H 1 0.74 0.2 . 2 . . . . . . . . 5904 1 229 . 1 1 29 29 ILE HD11 H 1 0.95 0.2 . 1 . . . . . . . . 5904 1 230 . 1 1 29 29 ILE HD12 H 1 0.95 0.2 . 1 . . . . . . . . 5904 1 231 . 1 1 29 29 ILE HD13 H 1 0.95 0.2 . 1 . . . . . . . . 5904 1 232 . 1 1 29 29 ILE C C 13 177.1 0.5 . 1 . . . . . . . . 5904 1 233 . 1 1 29 29 ILE CA C 13 62.2 0.5 . 1 . . . . . . . . 5904 1 234 . 1 1 29 29 ILE CB C 13 37.7 0.5 . 1 . . . . . . . . 5904 1 235 . 1 1 29 29 ILE CG1 C 13 27.8 0.5 . 1 . . . . . . . . 5904 1 236 . 1 1 29 29 ILE CD1 C 13 17.2 0.5 . 1 . . . . . . . . 5904 1 237 . 1 1 29 29 ILE N N 15 120.3 0.5 . 1 . . . . . . . . 5904 1 238 . 1 1 30 30 ARG H H 1 8.10 0.2 . 1 . . . . . . . . 5904 1 239 . 1 1 30 30 ARG HA H 1 4.21 0.2 . 1 . . . . . . . . 5904 1 240 . 1 1 30 30 ARG HB2 H 1 1.82 0.2 . 2 . . . . . . . . 5904 1 241 . 1 1 30 30 ARG HG2 H 1 1.62 0.2 . 2 . . . . . . . . 5904 1 242 . 1 1 30 30 ARG C C 13 175.9 0.5 . 1 . . . . . . . . 5904 1 243 . 1 1 30 30 ARG CA C 13 56.8 0.5 . 1 . . . . . . . . 5904 1 244 . 1 1 30 30 ARG CB C 13 29.9 0.5 . 1 . . . . . . . . 5904 1 245 . 1 1 30 30 ARG CG C 13 27.1 0.5 . 1 . . . . . . . . 5904 1 246 . 1 1 30 30 ARG N N 15 122.8 0.5 . 1 . . . . . . . . 5904 1 247 . 1 1 31 31 ARG H H 1 8.09 0.2 . 1 . . . . . . . . 5904 1 248 . 1 1 31 31 ARG HA H 1 4.26 0.2 . 1 . . . . . . . . 5904 1 249 . 1 1 31 31 ARG HB2 H 1 1.80 0.2 . 2 . . . . . . . . 5904 1 250 . 1 1 31 31 ARG HG2 H 1 1.59 0.2 . 2 . . . . . . . . 5904 1 251 . 1 1 31 31 ARG C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 252 . 1 1 31 31 ARG CA C 13 56.2 0.5 . 1 . . . . . . . . 5904 1 253 . 1 1 31 31 ARG CB C 13 30.1 0.5 . 1 . . . . . . . . 5904 1 254 . 1 1 31 31 ARG CG C 13 27.0 0.5 . 1 . . . . . . . . 5904 1 255 . 1 1 31 31 ARG N N 15 120.3 0.5 . 1 . . . . . . . . 5904 1 256 . 1 1 32 32 ARG H H 1 8.10 0.2 . 1 . . . . . . . . 5904 1 257 . 1 1 32 32 ARG HA H 1 4.31 0.2 . 1 . . . . . . . . 5904 1 258 . 1 1 32 32 ARG HB2 H 1 1.80 0.2 . 2 . . . . . . . . 5904 1 259 . 1 1 32 32 ARG HG2 H 1 1.62 0.2 . 2 . . . . . . . . 5904 1 260 . 1 1 32 32 ARG C C 13 176.0 0.5 . 1 . . . . . . . . 5904 1 261 . 1 1 32 32 ARG CA C 13 55.9 0.5 . 1 . . . . . . . . 5904 1 262 . 1 1 32 32 ARG CB C 13 30.2 0.5 . 1 . . . . . . . . 5904 1 263 . 1 1 32 32 ARG CG C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 264 . 1 1 32 32 ARG N N 15 121.4 0.5 . 1 . . . . . . . . 5904 1 265 . 1 1 33 33 ARG H H 1 8.30 0.2 . 1 . . . . . . . . 5904 1 266 . 1 1 33 33 ARG HA H 1 4.37 0.2 . 1 . . . . . . . . 5904 1 267 . 1 1 33 33 ARG HB2 H 1 1.71 0.2 . 2 . . . . . . . . 5904 1 268 . 1 1 33 33 ARG HG2 H 1 1.36 0.2 . 2 . . . . . . . . 5904 1 269 . 1 1 33 33 ARG C C 13 176.1 0.5 . 1 . . . . . . . . 5904 1 270 . 1 1 33 33 ARG CA C 13 53.7 0.5 . 1 . . . . . . . . 5904 1 271 . 1 1 33 33 ARG CB C 13 29.6 0.5 . 1 . . . . . . . . 5904 1 272 . 1 1 33 33 ARG N N 15 123.7 0.5 . 1 . . . . . . . . 5904 1 273 . 1 1 34 34 PRO HA H 1 4.47 0.2 . 1 . . . . . . . . 5904 1 274 . 1 1 34 34 PRO HB2 H 1 1.86 0.2 . 2 . . . . . . . . 5904 1 275 . 1 1 34 34 PRO HB3 H 1 2.27 0.2 . 2 . . . . . . . . 5904 1 276 . 1 1 34 34 PRO C C 13 176.7 0.5 . 1 . . . . . . . . 5904 1 277 . 1 1 34 34 PRO CA C 13 63.7 0.5 . 1 . . . . . . . . 5904 1 278 . 1 1 34 34 PRO CB C 13 31.8 0.5 . 1 . . . . . . . . 5904 1 279 . 1 1 34 34 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 5904 1 280 . 1 1 35 35 THR H H 1 8.36 0.2 . 1 . . . . . . . . 5904 1 281 . 1 1 35 35 THR HA H 1 4.56 0.2 . 1 . . . . . . . . 5904 1 282 . 1 1 35 35 THR HB H 1 4.14 0.2 . 1 . . . . . . . . 5904 1 283 . 1 1 35 35 THR HG21 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 284 . 1 1 35 35 THR HG22 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 285 . 1 1 35 35 THR HG23 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 286 . 1 1 35 35 THR C C 13 172.9 0.5 . 1 . . . . . . . . 5904 1 287 . 1 1 35 35 THR CA C 13 60.6 0.5 . 1 . . . . . . . . 5904 1 288 . 1 1 35 35 THR CB C 13 69.2 0.5 . 1 . . . . . . . . 5904 1 289 . 1 1 35 35 THR CG2 C 13 21.3 0.5 . 1 . . . . . . . . 5904 1 290 . 1 1 35 35 THR N N 15 117.5 0.5 . 1 . . . . . . . . 5904 1 291 . 1 1 36 36 PRO HA H 1 4.35 0.2 . 1 . . . . . . . . 5904 1 292 . 1 1 36 36 PRO HB2 H 1 1.90 0.2 . 2 . . . . . . . . 5904 1 293 . 1 1 36 36 PRO HB3 H 1 2.31 0.2 . 2 . . . . . . . . 5904 1 294 . 1 1 36 36 PRO C C 13 176.7 0.5 . 1 . . . . . . . . 5904 1 295 . 1 1 36 36 PRO CA C 13 63.0 0.5 . 1 . . . . . . . . 5904 1 296 . 1 1 36 36 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 297 . 1 1 36 36 PRO CG C 13 27.1 0.5 . 1 . . . . . . . . 5904 1 298 . 1 1 37 37 ALA H H 1 8.43 0.2 . 1 . . . . . . . . 5904 1 299 . 1 1 37 37 ALA HA H 1 4.29 0.2 . 1 . . . . . . . . 5904 1 300 . 1 1 37 37 ALA HB1 H 1 1.38 0.2 . 1 . . . . . . . . 5904 1 301 . 1 1 37 37 ALA HB2 H 1 1.38 0.2 . 1 . . . . . . . . 5904 1 302 . 1 1 37 37 ALA HB3 H 1 1.38 0.2 . 1 . . . . . . . . 5904 1 303 . 1 1 37 37 ALA C C 13 178.0 0.5 . 1 . . . . . . . . 5904 1 304 . 1 1 37 37 ALA CA C 13 52.5 0.5 . 1 . . . . . . . . 5904 1 305 . 1 1 37 37 ALA CB C 13 18.4 0.5 . 1 . . . . . . . . 5904 1 306 . 1 1 37 37 ALA N N 15 124.1 0.5 . 1 . . . . . . . . 5904 1 307 . 1 1 38 38 THR H H 1 8.05 0.2 . 1 . . . . . . . . 5904 1 308 . 1 1 38 38 THR HA H 1 4.20 0.2 . 1 . . . . . . . . 5904 1 309 . 1 1 38 38 THR HB H 1 4.16 0.2 . 1 . . . . . . . . 5904 1 310 . 1 1 38 38 THR C C 13 174.3 0.5 . 1 . . . . . . . . 5904 1 311 . 1 1 38 38 THR CA C 13 61.6 0.5 . 1 . . . . . . . . 5904 1 312 . 1 1 38 38 THR CB C 13 69.2 0.5 . 1 . . . . . . . . 5904 1 313 . 1 1 38 38 THR CG2 C 13 21.5 0.5 . 1 . . . . . . . . 5904 1 314 . 1 1 38 38 THR N N 15 113.3 0.5 . 1 . . . . . . . . 5904 1 315 . 1 1 39 39 LEU H H 1 8.19 0.2 . 1 . . . . . . . . 5904 1 316 . 1 1 39 39 LEU HA H 1 4.36 0.2 . 1 . . . . . . . . 5904 1 317 . 1 1 39 39 LEU HB2 H 1 1.57 0.2 . 2 . . . . . . . . 5904 1 318 . 1 1 39 39 LEU HG H 1 1.55 0.2 . 1 . . . . . . . . 5904 1 319 . 1 1 39 39 LEU HD11 H 1 1.39 0.2 . 2 . . . . . . . . 5904 1 320 . 1 1 39 39 LEU HD12 H 1 1.39 0.2 . 2 . . . . . . . . 5904 1 321 . 1 1 39 39 LEU HD13 H 1 1.39 0.2 . 2 . . . . . . . . 5904 1 322 . 1 1 39 39 LEU C C 13 176.8 0.5 . 1 . . . . . . . . 5904 1 323 . 1 1 39 39 LEU CA C 13 54.9 0.5 . 1 . . . . . . . . 5904 1 324 . 1 1 39 39 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 5904 1 325 . 1 1 39 39 LEU CG C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 326 . 1 1 39 39 LEU N N 15 125.1 0.5 . 1 . . . . . . . . 5904 1 327 . 1 1 40 40 VAL H H 1 8.15 0.2 . 1 . . . . . . . . 5904 1 328 . 1 1 40 40 VAL HA H 1 4.06 0.2 . 1 . . . . . . . . 5904 1 329 . 1 1 40 40 VAL HB H 1 2.01 0.2 . 1 . . . . . . . . 5904 1 330 . 1 1 40 40 VAL HG11 H 1 0.88 0.2 . 2 . . . . . . . . 5904 1 331 . 1 1 40 40 VAL HG12 H 1 0.88 0.2 . 2 . . . . . . . . 5904 1 332 . 1 1 40 40 VAL HG13 H 1 0.88 0.2 . 2 . . . . . . . . 5904 1 333 . 1 1 40 40 VAL C C 13 175.9 0.5 . 1 . . . . . . . . 5904 1 334 . 1 1 40 40 VAL CA C 13 62.0 0.5 . 1 . . . . . . . . 5904 1 335 . 1 1 40 40 VAL CB C 13 32.2 0.5 . 1 . . . . . . . . 5904 1 336 . 1 1 40 40 VAL CG1 C 13 20.7 0.5 . 1 . . . . . . . . 5904 1 337 . 1 1 40 40 VAL N N 15 122.6 0.5 . 1 . . . . . . . . 5904 1 338 . 1 1 41 41 LEU H H 1 8.43 0.2 . 1 . . . . . . . . 5904 1 339 . 1 1 41 41 LEU HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 340 . 1 1 41 41 LEU HB2 H 1 1.59 0.2 . 2 . . . . . . . . 5904 1 341 . 1 1 41 41 LEU HG H 1 1.60 0.2 . 1 . . . . . . . . 5904 1 342 . 1 1 41 41 LEU C C 13 177.5 0.5 . 1 . . . . . . . . 5904 1 343 . 1 1 41 41 LEU CA C 13 54.6 0.5 . 1 . . . . . . . . 5904 1 344 . 1 1 41 41 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 5904 1 345 . 1 1 41 41 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 5904 1 346 . 1 1 41 41 LEU CD1 C 13 31.8 0.5 . 1 . . . . . . . . 5904 1 347 . 1 1 41 41 LEU N N 15 126.8 0.5 . 1 . . . . . . . . 5904 1 348 . 1 1 42 42 THR H H 1 8.18 0.2 . 1 . . . . . . . . 5904 1 349 . 1 1 42 42 THR HA H 1 4.38 0.2 . 1 . . . . . . . . 5904 1 350 . 1 1 42 42 THR HB H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 351 . 1 1 42 42 THR HG21 H 1 1.19 0.2 . 1 . . . . . . . . 5904 1 352 . 1 1 42 42 THR HG22 H 1 1.19 0.2 . 1 . . . . . . . . 5904 1 353 . 1 1 42 42 THR HG23 H 1 1.19 0.2 . 1 . . . . . . . . 5904 1 354 . 1 1 42 42 THR C C 13 174.7 0.5 . 1 . . . . . . . . 5904 1 355 . 1 1 42 42 THR CA C 13 61.3 0.5 . 1 . . . . . . . . 5904 1 356 . 1 1 42 42 THR CB C 13 69.4 0.5 . 1 . . . . . . . . 5904 1 357 . 1 1 42 42 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5904 1 358 . 1 1 42 42 THR N N 15 114.7 0.5 . 1 . . . . . . . . 5904 1 359 . 1 1 43 43 SER H H 1 8.36 0.2 . 1 . . . . . . . . 5904 1 360 . 1 1 43 43 SER HA H 1 4.45 0.2 . 1 . . . . . . . . 5904 1 361 . 1 1 43 43 SER HB2 H 1 3.86 0.2 . 2 . . . . . . . . 5904 1 362 . 1 1 43 43 SER C C 13 172.9 0.5 . 1 . . . . . . . . 5904 1 363 . 1 1 43 43 SER CA C 13 58.1 0.5 . 1 . . . . . . . . 5904 1 364 . 1 1 43 43 SER CB C 13 63.4 0.5 . 1 . . . . . . . . 5904 1 365 . 1 1 43 43 SER N N 15 117.4 0.5 . 1 . . . . . . . . 5904 1 366 . 1 1 44 44 ASP H H 1 8.40 0.2 . 1 . . . . . . . . 5904 1 367 . 1 1 44 44 ASP HA H 1 4.59 0.2 . 1 . . . . . . . . 5904 1 368 . 1 1 44 44 ASP HB2 H 1 2.67 0.2 . 2 . . . . . . . . 5904 1 369 . 1 1 44 44 ASP C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 370 . 1 1 44 44 ASP CA C 13 54.2 0.5 . 1 . . . . . . . . 5904 1 371 . 1 1 44 44 ASP CB C 13 40.4 0.5 . 1 . . . . . . . . 5904 1 372 . 1 1 44 44 ASP N N 15 122.2 0.5 . 1 . . . . . . . . 5904 1 373 . 1 1 45 45 GLN H H 1 8.29 0.2 . 1 . . . . . . . . 5904 1 374 . 1 1 45 45 GLN HA H 1 4.35 0.2 . 1 . . . . . . . . 5904 1 375 . 1 1 45 45 GLN HB2 H 1 1.96 0.2 . 2 . . . . . . . . 5904 1 376 . 1 1 45 45 GLN HB3 H 1 2.16 0.2 . 2 . . . . . . . . 5904 1 377 . 1 1 45 45 GLN HG2 H 1 2.33 0.2 . 2 . . . . . . . . 5904 1 378 . 1 1 45 45 GLN C C 13 175.9 0.5 . 1 . . . . . . . . 5904 1 379 . 1 1 45 45 GLN CA C 13 55.5 0.5 . 1 . . . . . . . . 5904 1 380 . 1 1 45 45 GLN CB C 13 28.7 0.5 . 1 . . . . . . . . 5904 1 381 . 1 1 45 45 GLN CG C 13 33.6 0.5 . 1 . . . . . . . . 5904 1 382 . 1 1 45 45 GLN N N 15 120.4 0.5 . 1 . . . . . . . . 5904 1 383 . 1 1 46 46 SER H H 1 8.35 0.2 . 1 . . . . . . . . 5904 1 384 . 1 1 46 46 SER HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 385 . 1 1 46 46 SER HB2 H 1 3.85 0.2 . 2 . . . . . . . . 5904 1 386 . 1 1 46 46 SER C C 13 174.1 0.5 . 1 . . . . . . . . 5904 1 387 . 1 1 46 46 SER CA C 13 58.2 0.5 . 1 . . . . . . . . 5904 1 388 . 1 1 46 46 SER CB C 13 63.5 0.5 . 1 . . . . . . . . 5904 1 389 . 1 1 46 46 SER N N 15 117.0 0.5 . 1 . . . . . . . . 5904 1 390 . 1 1 47 47 SER H H 1 8.35 0.2 . 1 . . . . . . . . 5904 1 391 . 1 1 47 47 SER C C 13 172.7 0.5 . 1 . . . . . . . . 5904 1 392 . 1 1 47 47 SER CA C 13 56.1 0.5 . 1 . . . . . . . . 5904 1 393 . 1 1 47 47 SER CB C 13 63.1 0.5 . 1 . . . . . . . . 5904 1 394 . 1 1 47 47 SER N N 15 118.8 0.5 . 1 . . . . . . . . 5904 1 395 . 1 1 48 48 PRO HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 396 . 1 1 48 48 PRO HB2 H 1 1.89 0.2 . 2 . . . . . . . . 5904 1 397 . 1 1 48 48 PRO HB3 H 1 2.26 0.2 . 2 . . . . . . . . 5904 1 398 . 1 1 48 48 PRO C C 13 176.8 0.5 . 1 . . . . . . . . 5904 1 399 . 1 1 48 48 PRO CA C 13 63.0 0.5 . 1 . . . . . . . . 5904 1 400 . 1 1 48 48 PRO CB C 13 31.8 0.5 . 1 . . . . . . . . 5904 1 401 . 1 1 48 48 PRO CG C 13 26.8 0.5 . 1 . . . . . . . . 5904 1 402 . 1 1 49 49 GLU H H 1 8.50 0.2 . 1 . . . . . . . . 5904 1 403 . 1 1 49 49 GLU HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 404 . 1 1 49 49 GLU HB2 H 1 1.88 0.2 . 2 . . . . . . . . 5904 1 405 . 1 1 49 49 GLU HB3 H 1 1.98 0.2 . 2 . . . . . . . . 5904 1 406 . 1 1 49 49 GLU HG2 H 1 2.25 0.2 . 2 . . . . . . . . 5904 1 407 . 1 1 49 49 GLU C C 13 176.4 0.5 . 1 . . . . . . . . 5904 1 408 . 1 1 49 49 GLU CA C 13 56.3 0.5 . 1 . . . . . . . . 5904 1 409 . 1 1 49 49 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 5904 1 410 . 1 1 49 49 GLU CG C 13 35.8 0.5 . 1 . . . . . . . . 5904 1 411 . 1 1 49 49 GLU N N 15 121.0 0.5 . 1 . . . . . . . . 5904 1 412 . 1 1 50 50 ILE H H 1 8.14 0.2 . 1 . . . . . . . . 5904 1 413 . 1 1 50 50 ILE HA H 1 4.11 0.2 . 1 . . . . . . . . 5904 1 414 . 1 1 50 50 ILE HB H 1 1.79 0.2 . 1 . . . . . . . . 5904 1 415 . 1 1 50 50 ILE HG12 H 1 0.96 0.2 . 2 . . . . . . . . 5904 1 416 . 1 1 50 50 ILE HD11 H 1 0.73 0.2 . 1 . . . . . . . . 5904 1 417 . 1 1 50 50 ILE HD12 H 1 0.73 0.2 . 1 . . . . . . . . 5904 1 418 . 1 1 50 50 ILE HD13 H 1 0.73 0.2 . 1 . . . . . . . . 5904 1 419 . 1 1 50 50 ILE C C 13 175.8 0.5 . 1 . . . . . . . . 5904 1 420 . 1 1 50 50 ILE CA C 13 60.6 0.5 . 1 . . . . . . . . 5904 1 421 . 1 1 50 50 ILE CB C 13 38.4 0.5 . 1 . . . . . . . . 5904 1 422 . 1 1 50 50 ILE CG1 C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 423 . 1 1 50 50 ILE CD1 C 13 17.3 0.5 . 1 . . . . . . . . 5904 1 424 . 1 1 50 50 ILE N N 15 121.6 0.5 . 1 . . . . . . . . 5904 1 425 . 1 1 51 51 ASP H H 1 8.40 0.2 . 1 . . . . . . . . 5904 1 426 . 1 1 51 51 ASP HA H 1 4.78 0.2 . 1 . . . . . . . . 5904 1 427 . 1 1 51 51 ASP HB2 H 1 2.57 0.2 . 2 . . . . . . . . 5904 1 428 . 1 1 51 51 ASP HB3 H 1 2.72 0.2 . 2 . . . . . . . . 5904 1 429 . 1 1 51 51 ASP C C 13 175.9 0.5 . 1 . . . . . . . . 5904 1 430 . 1 1 51 51 ASP CA C 13 53.9 0.5 . 1 . . . . . . . . 5904 1 431 . 1 1 51 51 ASP CB C 13 40.5 0.5 . 1 . . . . . . . . 5904 1 432 . 1 1 51 51 ASP N N 15 124.6 0.5 . 1 . . . . . . . . 5904 1 433 . 1 1 52 52 GLU H H 1 8.46 0.2 . 1 . . . . . . . . 5904 1 434 . 1 1 52 52 GLU HA H 1 4.17 0.2 . 1 . . . . . . . . 5904 1 435 . 1 1 52 52 GLU HB2 H 1 1.92 0.2 . 2 . . . . . . . . 5904 1 436 . 1 1 52 52 GLU HB3 H 1 2.03 0.2 . 2 . . . . . . . . 5904 1 437 . 1 1 52 52 GLU HG2 H 1 2.22 0.2 . 2 . . . . . . . . 5904 1 438 . 1 1 52 52 GLU C C 13 176.4 0.5 . 1 . . . . . . . . 5904 1 439 . 1 1 52 52 GLU CA C 13 56.8 0.5 . 1 . . . . . . . . 5904 1 440 . 1 1 52 52 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 5904 1 441 . 1 1 52 52 GLU CG C 13 35.9 0.5 . 1 . . . . . . . . 5904 1 442 . 1 1 52 52 GLU N N 15 122.0 0.5 . 1 . . . . . . . . 5904 1 443 . 1 1 53 53 ASP H H 1 8.40 0.2 . 1 . . . . . . . . 5904 1 444 . 1 1 53 53 ASP HA H 1 4.79 0.2 . 1 . . . . . . . . 5904 1 445 . 1 1 53 53 ASP HB2 H 1 2.64 0.2 . 2 . . . . . . . . 5904 1 446 . 1 1 53 53 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 5904 1 447 . 1 1 53 53 ASP CA C 13 54.3 0.5 . 1 . . . . . . . . 5904 1 448 . 1 1 53 53 ASP CB C 13 40.3 0.5 . 1 . . . . . . . . 5904 1 449 . 1 1 53 53 ASP N N 15 120.3 0.5 . 1 . . . . . . . . 5904 1 450 . 1 1 54 54 ARG H H 1 8.01 0.2 . 1 . . . . . . . . 5904 1 451 . 1 1 54 54 ARG HA H 1 4.24 0.2 . 1 . . . . . . . . 5904 1 452 . 1 1 54 54 ARG HB2 H 1 1.74 0.2 . 2 . . . . . . . . 5904 1 453 . 1 1 54 54 ARG HB3 H 1 1.83 0.2 . 2 . . . . . . . . 5904 1 454 . 1 1 54 54 ARG HG2 H 1 1.55 0.2 . 2 . . . . . . . . 5904 1 455 . 1 1 54 54 ARG HD2 H 1 3.62 0.2 . 2 . . . . . . . . 5904 1 456 . 1 1 54 54 ARG C C 13 176.0 0.5 . 1 . . . . . . . . 5904 1 457 . 1 1 54 54 ARG CA C 13 55.7 0.5 . 1 . . . . . . . . 5904 1 458 . 1 1 54 54 ARG CB C 13 30.1 0.5 . 1 . . . . . . . . 5904 1 459 . 1 1 54 54 ARG CG C 13 26.8 0.5 . 1 . . . . . . . . 5904 1 460 . 1 1 54 54 ARG N N 15 120.4 0.5 . 1 . . . . . . . . 5904 1 461 . 1 1 55 55 ILE H H 1 8.08 0.2 . 1 . . . . . . . . 5904 1 462 . 1 1 55 55 ILE HA H 1 4.01 0.2 . 1 . . . . . . . . 5904 1 463 . 1 1 55 55 ILE HB H 1 1.82 0.2 . 1 . . . . . . . . 5904 1 464 . 1 1 55 55 ILE HG12 H 1 0.8 0.2 . 2 . . . . . . . . 5904 1 465 . 1 1 55 55 ILE C C 13 174.5 0.5 . 1 . . . . . . . . 5904 1 466 . 1 1 55 55 ILE CA C 13 58.4 0.5 . 1 . . . . . . . . 5904 1 467 . 1 1 55 55 ILE CB C 13 38.0 0.5 . 1 . . . . . . . . 5904 1 468 . 1 1 55 55 ILE N N 15 123.2 0.5 . 1 . . . . . . . . 5904 1 469 . 1 1 56 56 PRO HA H 1 4.75 0.2 . 1 . . . . . . . . 5904 1 470 . 1 1 56 56 PRO HB2 H 1 1.83 0.2 . 2 . . . . . . . . 5904 1 471 . 1 1 56 56 PRO HB3 H 1 2.24 0.2 . 2 . . . . . . . . 5904 1 472 . 1 1 56 56 PRO C C 13 176.2 0.5 . 1 . . . . . . . . 5904 1 473 . 1 1 56 56 PRO CA C 13 62.8 0.5 . 1 . . . . . . . . 5904 1 474 . 1 1 56 56 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 475 . 1 1 56 56 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 5904 1 476 . 1 1 57 57 ASN H H 1 8.48 0.2 . 1 . . . . . . . . 5904 1 477 . 1 1 57 57 ASN HA H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 478 . 1 1 57 57 ASN HB2 H 1 4.27 0.2 . 2 . . . . . . . . 5904 1 479 . 1 1 57 57 ASN C C 13 173.9 0.5 . 1 . . . . . . . . 5904 1 480 . 1 1 57 57 ASN CA C 13 50.8 0.5 . 1 . . . . . . . . 5904 1 481 . 1 1 57 57 ASN CB C 13 38.3 0.5 . 1 . . . . . . . . 5904 1 482 . 1 1 57 57 ASN N N 15 119.8 0.5 . 1 . . . . . . . . 5904 1 483 . 1 1 58 58 PRO HA H 1 4.32 0.2 . 1 . . . . . . . . 5904 1 484 . 1 1 58 58 PRO HB2 H 1 1.78 0.25 . 2 . . . . . . . . 5904 1 485 . 1 1 58 58 PRO HB3 H 1 2.21 0.2 . 2 . . . . . . . . 5904 1 486 . 1 1 58 58 PRO C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 487 . 1 1 58 58 PRO CA C 13 63.3 0.5 . 1 . . . . . . . . 5904 1 488 . 1 1 58 58 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 489 . 1 1 58 58 PRO CG C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 490 . 1 1 59 59 HIS H H 1 8.46 0.2 . 1 . . . . . . . . 5904 1 491 . 1 1 59 59 HIS HA H 1 4.63 0.2 . 1 . . . . . . . . 5904 1 492 . 1 1 59 59 HIS HB2 H 1 3.15 0.2 . 2 . . . . . . . . 5904 1 493 . 1 1 59 59 HIS HB3 H 1 3.25 0.2 . 2 . . . . . . . . 5904 1 494 . 1 1 59 59 HIS C C 13 174.7 0.5 . 1 . . . . . . . . 5904 1 495 . 1 1 59 59 HIS CA C 13 55.3 0.5 . 1 . . . . . . . . 5904 1 496 . 1 1 59 59 HIS CB C 13 28.0 0.5 . 1 . . . . . . . . 5904 1 497 . 1 1 59 59 HIS N N 15 117.4 0.5 . 1 . . . . . . . . 5904 1 498 . 1 1 60 60 LEU H H 1 7.93 0.2 . 1 . . . . . . . . 5904 1 499 . 1 1 60 60 LEU HA H 1 4.22 0.2 . 1 . . . . . . . . 5904 1 500 . 1 1 60 60 LEU HB2 H 1 1.60 0.2 . 2 . . . . . . . . 5904 1 501 . 1 1 60 60 LEU HG H 1 1.52 0.2 . 1 . . . . . . . . 5904 1 502 . 1 1 60 60 LEU C C 13 177.3 0.5 . 1 . . . . . . . . 5904 1 503 . 1 1 60 60 LEU CA C 13 55.0 0.5 . 1 . . . . . . . . 5904 1 504 . 1 1 60 60 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 5904 1 505 . 1 1 60 60 LEU CG C 13 27.2 0.5 . 1 . . . . . . . . 5904 1 506 . 1 1 61 61 LYS H H 1 8.34 0.2 . 1 . . . . . . . . 5904 1 507 . 1 1 61 61 LYS HA H 1 4.29 0.2 . 1 . . . . . . . . 5904 1 508 . 1 1 61 61 LYS HB2 H 1 1.79 0.2 . 2 . . . . . . . . 5904 1 509 . 1 1 61 61 LYS C C 13 176.8 0.5 . 1 . . . . . . . . 5904 1 510 . 1 1 61 61 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 5904 1 511 . 1 1 61 61 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 5904 1 512 . 1 1 61 61 LYS CG C 13 24.5 0.5 . 1 . . . . . . . . 5904 1 513 . 1 1 61 61 LYS CD C 13 29.1 0.5 . 1 . . . . . . . . 5904 1 514 . 1 1 61 61 LYS CE C 13 44.0 0.5 . 1 . . . . . . . . 5904 1 515 . 1 1 61 61 LYS N N 15 122.3 0.5 . 1 . . . . . . . . 5904 1 516 . 1 1 62 62 SER H H 1 8.32 0.2 . 1 . . . . . . . . 5904 1 517 . 1 1 62 62 SER HA H 1 4.47 0.2 . 1 . . . . . . . . 5904 1 518 . 1 1 62 62 SER HB2 H 1 3.87 0.2 . 2 . . . . . . . . 5904 1 519 . 1 1 62 62 SER C C 13 175.0 0.5 . 1 . . . . . . . . 5904 1 520 . 1 1 62 62 SER CA C 13 58.1 0.5 . 1 . . . . . . . . 5904 1 521 . 1 1 62 62 SER CB C 13 63.2 0.5 . 1 . . . . . . . . 5904 1 522 . 1 1 62 62 SER N N 15 116.7 0.5 . 1 . . . . . . . . 5904 1 523 . 1 1 63 63 THR H H 1 8.19 0.2 . 1 . . . . . . . . 5904 1 524 . 1 1 63 63 THR HA H 1 4.29 0.2 . 1 . . . . . . . . 5904 1 525 . 1 1 63 63 THR HB H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 526 . 1 1 63 63 THR HG21 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 527 . 1 1 63 63 THR HG22 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 528 . 1 1 63 63 THR HG23 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 529 . 1 1 63 63 THR C C 13 174.8 0.5 . 1 . . . . . . . . 5904 1 530 . 1 1 63 63 THR CA C 13 61.6 0.5 . 1 . . . . . . . . 5904 1 531 . 1 1 63 63 THR CB C 13 69.4 0.5 . 1 . . . . . . . . 5904 1 532 . 1 1 63 63 THR CG2 C 13 21.5 0.5 . 1 . . . . . . . . 5904 1 533 . 1 1 63 63 THR N N 15 116.7 0.5 . 1 . . . . . . . . 5904 1 534 . 1 1 64 64 LEU H H 1 8.12 0.2 . 1 . . . . . . . . 5904 1 535 . 1 1 64 64 LEU HA H 1 4.30 0.2 . 1 . . . . . . . . 5904 1 536 . 1 1 64 64 LEU HB2 H 1 1.58 0.2 . 2 . . . . . . . . 5904 1 537 . 1 1 64 64 LEU HG H 1 1.35 0.2 . 1 . . . . . . . . 5904 1 538 . 1 1 64 64 LEU C C 13 177.1 0.5 . 1 . . . . . . . . 5904 1 539 . 1 1 64 64 LEU CA C 13 55.1 0.5 . 1 . . . . . . . . 5904 1 540 . 1 1 64 64 LEU CB C 13 41.7 0.5 . 1 . . . . . . . . 5904 1 541 . 1 1 64 64 LEU CG C 13 24.5 0.5 . 1 . . . . . . . . 5904 1 542 . 1 1 64 64 LEU CD1 C 13 26.6 0.5 . 1 . . . . . . . . 5904 1 543 . 1 1 64 64 LEU N N 15 124.1 0.5 . 1 . . . . . . . . 5904 1 544 . 1 1 65 65 ALA H H 1 8.19 0.2 . 1 . . . . . . . . 5904 1 545 . 1 1 65 65 ALA HA H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 546 . 1 1 65 65 ALA HB1 H 1 1.35 0.2 . 1 . . . . . . . . 5904 1 547 . 1 1 65 65 ALA HB2 H 1 1.35 0.2 . 1 . . . . . . . . 5904 1 548 . 1 1 65 65 ALA HB3 H 1 1.35 0.2 . 1 . . . . . . . . 5904 1 549 . 1 1 65 65 ALA C C 13 177.5 0.2 . 1 . . . . . . . . 5904 1 550 . 1 1 65 65 ALA CA C 13 52.2 0.7 . 1 . . . . . . . . 5904 1 551 . 1 1 65 65 ALA CB C 13 18.4 0.7 . 1 . . . . . . . . 5904 1 552 . 1 1 65 65 ALA N N 15 124.4 0.7 . 1 . . . . . . . . 5904 1 553 . 1 1 66 66 MET H H 1 8.16 0.2 . 1 . . . . . . . . 5904 1 554 . 1 1 66 66 MET HA H 1 4.47 0.2 . 1 . . . . . . . . 5904 1 555 . 1 1 66 66 MET HB2 H 1 2.00 0.2 . 2 . . . . . . . . 5904 1 556 . 1 1 66 66 MET HG2 H 1 2.52 0.2 . 2 . . . . . . . . 5904 1 557 . 1 1 66 66 MET C C 13 176.0 0.5 . 1 . . . . . . . . 5904 1 558 . 1 1 66 66 MET CA C 13 54.9 0.5 . 1 . . . . . . . . 5904 1 559 . 1 1 66 66 MET CB C 13 32.7 0.5 . 1 . . . . . . . . 5904 1 560 . 1 1 66 66 MET CG C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 561 . 1 1 66 66 MET CE C 13 19.1 0.5 . 1 . . . . . . . . 5904 1 562 . 1 1 66 66 MET N N 15 119.2 0.5 . 1 . . . . . . . . 5904 1 563 . 1 1 67 67 SER H H 1 8.38 0.2 . 1 . . . . . . . . 5904 1 564 . 1 1 67 67 SER C C 13 172.9 0.5 . 1 . . . . . . . . 5904 1 565 . 1 1 67 67 SER CA C 13 56.1 0.5 . 1 . . . . . . . . 5904 1 566 . 1 1 67 67 SER CB C 13 62.9 0.5 . 1 . . . . . . . . 5904 1 567 . 1 1 67 67 SER N N 15 118.9 0.5 . 1 . . . . . . . . 5904 1 568 . 1 1 68 68 PRO HA H 1 4.37 0.2 . 1 . . . . . . . . 5904 1 569 . 1 1 68 68 PRO HB2 H 1 1.92 0.2 . 2 . . . . . . . . 5904 1 570 . 1 1 68 68 PRO HB3 H 1 2.31 0.2 . 2 . . . . . . . . 5904 1 571 . 1 1 68 68 PRO C C 13 177.5 0.5 . 1 . . . . . . . . 5904 1 572 . 1 1 68 68 PRO CA C 13 63.6 0.5 . 1 . . . . . . . . 5904 1 573 . 1 1 68 68 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 574 . 1 1 68 68 PRO CG C 13 27.2 0.5 . 1 . . . . . . . . 5904 1 575 . 1 1 69 69 ARG H H 1 8.32 0.2 . 1 . . . . . . . . 5904 1 576 . 1 1 69 69 ARG HA H 1 4.23 0.2 . 1 . . . . . . . . 5904 1 577 . 1 1 69 69 ARG HB2 H 1 1.79 0.2 . 2 . . . . . . . . 5904 1 578 . 1 1 69 69 ARG HG2 H 1 1.65 0.2 . 1 . . . . . . . . 5904 1 579 . 1 1 69 69 ARG C C 13 176.8 0.5 . 1 . . . . . . . . 5904 1 580 . 1 1 69 69 ARG CA C 13 56.6 0.5 . 1 . . . . . . . . 5904 1 581 . 1 1 69 69 ARG CB C 13 29.9 0.5 . 1 . . . . . . . . 5904 1 582 . 1 1 69 69 ARG CG C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 583 . 1 1 69 69 ARG CD C 13 45.2 0.5 . 1 . . . . . . . . 5904 1 584 . 1 1 69 69 ARG N N 15 119.9 0.5 . 1 . . . . . . . . 5904 1 585 . 1 1 70 70 GLN H H 1 8.21 0.2 . 1 . . . . . . . . 5904 1 586 . 1 1 70 70 GLN HA H 1 4.28 0.2 . 1 . . . . . . . . 5904 1 587 . 1 1 70 70 GLN HB2 H 1 2.04 0.2 . 2 . . . . . . . . 5904 1 588 . 1 1 70 70 GLN HG2 H 1 2.37 0.2 . 2 . . . . . . . . 5904 1 589 . 1 1 70 70 GLN C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 590 . 1 1 70 70 GLN CA C 13 55.9 0.5 . 1 . . . . . . . . 5904 1 591 . 1 1 70 70 GLN CB C 13 28.8 0.5 . 1 . . . . . . . . 5904 1 592 . 1 1 70 70 GLN CG C 13 33.6 0.5 . 1 . . . . . . . . 5904 1 593 . 1 1 70 70 GLN N N 15 120.9 0.5 . 1 . . . . . . . . 5904 1 594 . 1 1 71 71 ARG H H 1 8.36 0.2 . 1 . . . . . . . . 5904 1 595 . 1 1 71 71 ARG HA H 1 4.29 0.2 . 1 . . . . . . . . 5904 1 596 . 1 1 71 71 ARG HB2 H 1 1.79 0.2 . 2 . . . . . . . . 5904 1 597 . 1 1 71 71 ARG HG2 H 1 1.57 0.2 . 2 . . . . . . . . 5904 1 598 . 1 1 71 71 ARG C C 13 177.1 0.5 . 1 . . . . . . . . 5904 1 599 . 1 1 71 71 ARG CA C 13 56.3 0.5 . 1 . . . . . . . . 5904 1 600 . 1 1 71 71 ARG CB C 13 30.3 0.5 . 1 . . . . . . . . 5904 1 601 . 1 1 71 71 ARG CG C 13 27.0 0.5 . 1 . . . . . . . . 5904 1 602 . 1 1 71 71 ARG N N 15 122.3 0.5 . 1 . . . . . . . . 5904 1 603 . 1 1 72 72 LYS H H 1 8.27 0.2 . 1 . . . . . . . . 5904 1 604 . 1 1 72 72 LYS HA H 1 4.25 0.2 . 1 . . . . . . . . 5904 1 605 . 1 1 72 72 LYS HB2 H 1 1.77 0.2 . 2 . . . . . . . . 5904 1 606 . 1 1 72 72 LYS HG2 H 1 1.52 0.2 . 2 . . . . . . . . 5904 1 607 . 1 1 72 72 LYS HD2 H 1 1.76 0.2 . 2 . . . . . . . . 5904 1 608 . 1 1 72 72 LYS HE2 H 1 3.07 0.2 . 1 . . . . . . . . 5904 1 609 . 1 1 72 72 LYS C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 610 . 1 1 72 72 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 5904 1 611 . 1 1 72 72 LYS CB C 13 32.2 0.5 . 1 . . . . . . . . 5904 1 612 . 1 1 72 72 LYS CG C 13 24.5 0.5 . 1 . . . . . . . . 5904 1 613 . 1 1 72 72 LYS N N 15 122.4 0.5 . 1 . . . . . . . . 5904 1 614 . 1 1 73 73 LYS H H 1 8.27 0.2 . 1 . . . . . . . . 5904 1 615 . 1 1 73 73 LYS HA H 1 4.26 0.2 . 1 . . . . . . . . 5904 1 616 . 1 1 73 73 LYS HB2 H 1 1.78 0.2 . 2 . . . . . . . . 5904 1 617 . 1 1 73 73 LYS HG2 H 1 1.54 0.2 . 2 . . . . . . . . 5904 1 618 . 1 1 73 73 LYS HD2 H 1 1.77 0.2 . 2 . . . . . . . . 5904 1 619 . 1 1 73 73 LYS C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 620 . 1 1 73 73 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 5904 1 621 . 1 1 73 73 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . 5904 1 622 . 1 1 73 73 LYS CG C 13 24.5 0.5 . 1 . . . . . . . . 5904 1 623 . 1 1 73 73 LYS N N 15 122.4 0.5 . 1 . . . . . . . . 5904 1 624 . 1 1 74 74 MET H H 1 8.38 0.2 . 1 . . . . . . . . 5904 1 625 . 1 1 74 74 MET HA H 1 4.49 0.2 . 1 . . . . . . . . 5904 1 626 . 1 1 74 74 MET HB2 H 1 2.04 0.2 . 2 . . . . . . . . 5904 1 627 . 1 1 74 74 MET HG2 H 1 2.50 0.2 . 2 . . . . . . . . 5904 1 628 . 1 1 74 74 MET C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 629 . 1 1 74 74 MET CA C 13 55.1 0.5 . 1 . . . . . . . . 5904 1 630 . 1 1 74 74 MET CB C 13 32.2 0.5 . 1 . . . . . . . . 5904 1 631 . 1 1 74 74 MET CG C 13 31.9 0.5 . 1 . . . . . . . . 5904 1 632 . 1 1 74 74 MET N N 15 121.9 0.5 . 1 . . . . . . . . 5904 1 633 . 1 1 75 75 THR H H 1 8.18 0.2 . 1 . . . . . . . . 5904 1 634 . 1 1 75 75 THR HA H 1 4.31 0.2 . 1 . . . . . . . . 5904 1 635 . 1 1 75 75 THR HB H 1 4.15 0.2 . 1 . . . . . . . . 5904 1 636 . 1 1 75 75 THR HG21 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 637 . 1 1 75 75 THR HG22 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 638 . 1 1 75 75 THR HG23 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 639 . 1 1 75 75 THR C C 13 174.1 0.5 . 1 . . . . . . . . 5904 1 640 . 1 1 75 75 THR CA C 13 61.8 0.5 . 1 . . . . . . . . 5904 1 641 . 1 1 75 75 THR CB C 13 69.3 0.5 . 1 . . . . . . . . 5904 1 642 . 1 1 75 75 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5904 1 643 . 1 1 75 75 THR N N 15 116.4 0.5 . 1 . . . . . . . . 5904 1 644 . 1 1 76 76 ARG H H 1 8.36 0.2 . 1 . . . . . . . . 5904 1 645 . 1 1 76 76 ARG HA H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 646 . 1 1 76 76 ARG HB2 H 1 1.76 0.2 . 2 . . . . . . . . 5904 1 647 . 1 1 76 76 ARG HG2 H 1 1.60 0.2 . 2 . . . . . . . . 5904 1 648 . 1 1 76 76 ARG C C 13 175.8 0.5 . 1 . . . . . . . . 5904 1 649 . 1 1 76 76 ARG CA C 13 55.7 0.5 . 1 . . . . . . . . 5904 1 650 . 1 1 76 76 ARG CB C 13 30.3 0.5 . 1 . . . . . . . . 5904 1 651 . 1 1 76 76 ARG CG C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 652 . 1 1 76 76 ARG N N 15 124.1 0.5 . 1 . . . . . . . . 5904 1 653 . 1 1 77 77 ILE H H 1 8.31 0.2 . 1 . . . . . . . . 5904 1 654 . 1 1 77 77 ILE HA H 1 4.21 0.2 . 1 . . . . . . . . 5904 1 655 . 1 1 77 77 ILE HB H 1 1.83 0.2 . 1 . . . . . . . . 5904 1 656 . 1 1 77 77 ILE HG12 H 1 0.96 0.2 . 2 . . . . . . . . 5904 1 657 . 1 1 77 77 ILE HD11 H 1 0.72 0.2 . 1 . . . . . . . . 5904 1 658 . 1 1 77 77 ILE HD12 H 1 0.72 0.2 . 1 . . . . . . . . 5904 1 659 . 1 1 77 77 ILE HD13 H 1 0.72 0.2 . 1 . . . . . . . . 5904 1 660 . 1 1 77 77 ILE C C 13 175.8 0.5 . 1 . . . . . . . . 5904 1 661 . 1 1 77 77 ILE CA C 13 60.5 0.5 . 1 . . . . . . . . 5904 1 662 . 1 1 77 77 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 5904 1 663 . 1 1 77 77 ILE CG1 C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 664 . 1 1 77 77 ILE CD1 C 13 17.2 0.5 . 1 . . . . . . . . 5904 1 665 . 1 1 77 77 ILE N N 15 123.2 0.5 . 1 . . . . . . . . 5904 1 666 . 1 1 78 78 THR H H 1 8.31 0.2 . 1 . . . . . . . . 5904 1 667 . 1 1 78 78 THR HA H 1 4.59 0.2 . 1 . . . . . . . . 5904 1 668 . 1 1 78 78 THR HB H 1 4.24 0.2 . 1 . . . . . . . . 5904 1 669 . 1 1 78 78 THR HG21 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 670 . 1 1 78 78 THR HG22 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 671 . 1 1 78 78 THR HG23 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 672 . 1 1 78 78 THR C C 13 172.8 0.5 . 1 . . . . . . . . 5904 1 673 . 1 1 78 78 THR CA C 13 59.4 0.5 . 1 . . . . . . . . 5904 1 674 . 1 1 78 78 THR CB C 13 69.2 0.5 . 1 . . . . . . . . 5904 1 675 . 1 1 78 78 THR N N 15 121.8 0.5 . 1 . . . . . . . . 5904 1 676 . 1 1 79 79 PRO HA H 1 4.45 0.2 . 1 . . . . . . . . 5904 1 677 . 1 1 79 79 PRO HB2 H 1 1.92 0.2 . 2 . . . . . . . . 5904 1 678 . 1 1 79 79 PRO HB3 H 1 2.32 0.2 . 2 . . . . . . . . 5904 1 679 . 1 1 79 79 PRO C C 13 177.0 0.5 . 1 . . . . . . . . 5904 1 680 . 1 1 79 79 PRO CA C 13 63.1 0.5 . 1 . . . . . . . . 5904 1 681 . 1 1 79 79 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 5904 1 682 . 1 1 79 79 PRO CG C 13 27.1 0.5 . 1 . . . . . . . . 5904 1 683 . 1 1 80 80 THR H H 1 8.25 0.2 . 1 . . . . . . . . 5904 1 684 . 1 1 80 80 THR HA H 1 4.34 0.2 . 1 . . . . . . . . 5904 1 685 . 1 1 80 80 THR HB H 1 4.21 0.2 . 1 . . . . . . . . 5904 1 686 . 1 1 80 80 THR HG21 H 1 1.19 0.2 . 1 . . . . . . . . 5904 1 687 . 1 1 80 80 THR HG22 H 1 1.19 0.2 . 1 . . . . . . . . 5904 1 688 . 1 1 80 80 THR HG23 H 1 1.19 0.2 . 1 . . . . . . . . 5904 1 689 . 1 1 80 80 THR C C 13 174.7 0.5 . 1 . . . . . . . . 5904 1 690 . 1 1 80 80 THR CA C 13 61.8 0.5 . 1 . . . . . . . . 5904 1 691 . 1 1 80 80 THR CB C 13 69.3 0.5 . 1 . . . . . . . . 5904 1 692 . 1 1 80 80 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5904 1 693 . 1 1 80 80 THR N N 15 114.4 0.5 . 1 . . . . . . . . 5904 1 694 . 1 1 81 81 MET H H 1 8.38 0.2 . 1 . . . . . . . . 5904 1 695 . 1 1 81 81 MET HA H 1 4.32 0.2 . 1 . . . . . . . . 5904 1 696 . 1 1 81 81 MET HB2 H 1 1.73 0.2 . 2 . . . . . . . . 5904 1 697 . 1 1 81 81 MET HG2 H 1 1.35 0.2 . 2 . . . . . . . . 5904 1 698 . 1 1 81 81 MET C C 13 176.1 0.5 . 1 . . . . . . . . 5904 1 699 . 1 1 81 81 MET CA C 13 55.3 0.5 . 1 . . . . . . . . 5904 1 700 . 1 1 81 81 MET CB C 13 32.2 0.5 . 1 . . . . . . . . 5904 1 701 . 1 1 81 81 MET CG C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 702 . 1 1 81 81 MET CE C 13 27.2 0.5 . 1 . . . . . . . . 5904 1 703 . 1 1 81 81 MET N N 15 122.9 0.5 . 1 . . . . . . . . 5904 1 704 . 1 1 82 82 LYS H H 1 8.34 0.2 . 1 . . . . . . . . 5904 1 705 . 1 1 82 82 LYS HA H 1 4.26 0.2 . 1 . . . . . . . . 5904 1 706 . 1 1 82 82 LYS HB2 H 1 1.78 0.2 . 2 . . . . . . . . 5904 1 707 . 1 1 82 82 LYS HG2 H 1 1.37 0.2 . 2 . . . . . . . . 5904 1 708 . 1 1 82 82 LYS C C 13 176.4 0.5 . 1 . . . . . . . . 5904 1 709 . 1 1 82 82 LYS CA C 13 56.2 0.5 . 1 . . . . . . . . 5904 1 710 . 1 1 82 82 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 5904 1 711 . 1 1 82 82 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 5904 1 712 . 1 1 82 82 LYS CD C 13 27.2 0.5 . 1 . . . . . . . . 5904 1 713 . 1 1 82 82 LYS N N 15 122.9 0.5 . 1 . . . . . . . . 5904 1 714 . 1 1 83 83 GLU H H 1 8.51 0.2 . 1 . . . . . . . . 5904 1 715 . 1 1 83 83 GLU HA H 1 4.32 0.2 . 1 . . . . . . . . 5904 1 716 . 1 1 83 83 GLU HB2 H 1 1.98 0.2 . 2 . . . . . . . . 5904 1 717 . 1 1 83 83 GLU HG2 H 1 2.27 0.2 . 2 . . . . . . . . 5904 1 718 . 1 1 83 83 GLU C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 719 . 1 1 83 83 GLU CA C 13 56.5 0.5 . 1 . . . . . . . . 5904 1 720 . 1 1 83 83 GLU CB C 13 29.5 0.5 . 1 . . . . . . . . 5904 1 721 . 1 1 83 83 GLU N N 15 122.3 0.5 . 1 . . . . . . . . 5904 1 722 . 1 1 84 84 LYS HA H 1 4.31 0.2 . 1 . . . . . . . . 5904 1 723 . 1 1 84 84 LYS HB2 H 1 1.99 0.2 . 2 . . . . . . . . 5904 1 724 . 1 1 84 84 LYS C C 13 176.7 0.5 . 1 . . . . . . . . 5904 1 725 . 1 1 84 84 LYS CA C 13 56.5 0.5 . 1 . . . . . . . . 5904 1 726 . 1 1 84 84 LYS CB C 13 30.0 0.5 . 1 . . . . . . . . 5904 1 727 . 1 1 84 84 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 5904 1 728 . 1 1 84 84 LYS CD C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 729 . 1 1 85 85 THR H H 1 8.19 0.2 . 1 . . . . . . . . 5904 1 730 . 1 1 85 85 THR HA H 1 4.31 0.2 . 1 . . . . . . . . 5904 1 731 . 1 1 85 85 THR HB H 1 4.22 0.2 . 1 . . . . . . . . 5904 1 732 . 1 1 85 85 THR HG21 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 733 . 1 1 85 85 THR HG22 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 734 . 1 1 85 85 THR HG23 H 1 1.20 0.2 . 1 . . . . . . . . 5904 1 735 . 1 1 85 85 THR C C 13 174.4 0.5 . 1 . . . . . . . . 5904 1 736 . 1 1 85 85 THR CA C 13 61.6 0.5 . 1 . . . . . . . . 5904 1 737 . 1 1 85 85 THR CB C 13 69.5 0.5 . 1 . . . . . . . . 5904 1 738 . 1 1 85 85 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5904 1 739 . 1 1 85 85 THR N N 15 115.4 0.5 . 1 . . . . . . . . 5904 1 740 . 1 1 86 86 ALA H H 1 8.36 0.2 . 1 . . . . . . . . 5904 1 741 . 1 1 86 86 ALA HA H 1 4.31 0.2 . 1 . . . . . . . . 5904 1 742 . 1 1 86 86 ALA HB1 H 1 1.38 0.2 . 1 . . . . . . . . 5904 1 743 . 1 1 86 86 ALA HB2 H 1 1.38 0.2 . 1 . . . . . . . . 5904 1 744 . 1 1 86 86 ALA HB3 H 1 1.38 0.2 . 1 . . . . . . . . 5904 1 745 . 1 1 86 86 ALA C C 13 177.7 0.5 . 1 . . . . . . . . 5904 1 746 . 1 1 86 86 ALA CA C 13 52.4 0.5 . 1 . . . . . . . . 5904 1 747 . 1 1 86 86 ALA CB C 13 18.6 0.5 . 1 . . . . . . . . 5904 1 748 . 1 1 86 86 ALA N N 15 126.3 0.5 . 1 . . . . . . . . 5904 1 749 . 1 1 87 87 GLU H H 1 8.38 0.2 . 1 . . . . . . . . 5904 1 750 . 1 1 87 87 GLU HA H 1 4.24 0.2 . 1 . . . . . . . . 5904 1 751 . 1 1 87 87 GLU HB2 H 1 1.92 0.2 . 2 . . . . . . . . 5904 1 752 . 1 1 87 87 GLU HG2 H 1 2.25 0.2 . 2 . . . . . . . . 5904 1 753 . 1 1 87 87 GLU C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 754 . 1 1 87 87 GLU CA C 13 56.3 0.5 . 1 . . . . . . . . 5904 1 755 . 1 1 87 87 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 5904 1 756 . 1 1 87 87 GLU CG C 13 35.9 0.5 . 1 . . . . . . . . 5904 1 757 . 1 1 87 87 GLU N N 15 120.0 0.5 . 1 . . . . . . . . 5904 1 758 . 1 1 88 88 CYS H H 1 8.37 0.2 . 1 . . . . . . . . 5904 1 759 . 1 1 88 88 CYS HA H 1 4.80 0.2 . 1 . . . . . . . . 5904 1 760 . 1 1 88 88 CYS HB2 H 1 2.88 0.2 . 2 . . . . . . . . 5904 1 761 . 1 1 88 88 CYS C C 13 174.2 0.5 . 1 . . . . . . . . 5904 1 762 . 1 1 88 88 CYS CA C 13 58.1 0.5 . 1 . . . . . . . . 5904 1 763 . 1 1 88 88 CYS CB C 13 27.1 0.5 . 1 . . . . . . . . 5904 1 764 . 1 1 88 88 CYS N N 15 120.6 0.5 . 1 . . . . . . . . 5904 1 765 . 1 1 89 89 ILE H H 1 8.25 0.2 . 1 . . . . . . . . 5904 1 766 . 1 1 89 89 ILE HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 767 . 1 1 89 89 ILE HB H 1 1.83 0.2 . 1 . . . . . . . . 5904 1 768 . 1 1 89 89 ILE C C 13 174.5 0.5 . 1 . . . . . . . . 5904 1 769 . 1 1 89 89 ILE CA C 13 58.5 0.5 . 1 . . . . . . . . 5904 1 770 . 1 1 89 89 ILE CB C 13 37.9 0.5 . 1 . . . . . . . . 5904 1 771 . 1 1 89 89 ILE N N 15 125.5 0.5 . 1 . . . . . . . . 5904 1 772 . 1 1 90 90 PRO HA H 1 4.39 0.2 . 1 . . . . . . . . 5904 1 773 . 1 1 90 90 PRO HB2 H 1 1.84 0.2 . 2 . . . . . . . . 5904 1 774 . 1 1 90 90 PRO HB3 H 1 2.28 0.2 . 2 . . . . . . . . 5904 1 775 . 1 1 90 90 PRO C C 13 176.6 0.5 . 1 . . . . . . . . 5904 1 776 . 1 1 90 90 PRO CA C 13 62.9 0.5 . 1 . . . . . . . . 5904 1 777 . 1 1 90 90 PRO CB C 13 31.8 0.5 . 1 . . . . . . . . 5904 1 778 . 1 1 90 90 PRO CG C 13 27.1 0.5 . 1 . . . . . . . . 5904 1 779 . 1 1 91 91 LYS H H 1 8.50 0.2 . 1 . . . . . . . . 5904 1 780 . 1 1 91 91 LYS HA H 1 4.31 0.2 . 1 . . . . . . . . 5904 1 781 . 1 1 91 91 LYS HB2 H 1 1.76 0.2 . 2 . . . . . . . . 5904 1 782 . 1 1 91 91 LYS HG2 H 1 1.43 0.2 . 2 . . . . . . . . 5904 1 783 . 1 1 91 91 LYS C C 13 176.9 0.5 . 1 . . . . . . . . 5904 1 784 . 1 1 91 91 LYS CA C 13 56.0 0.5 . 1 . . . . . . . . 5904 1 785 . 1 1 91 91 LYS CB C 13 32.2 0.5 . 1 . . . . . . . . 5904 1 786 . 1 1 91 91 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 5904 1 787 . 1 1 91 91 LYS CD C 13 30.3 0.5 . 1 . . . . . . . . 5904 1 788 . 1 1 91 91 LYS CE C 13 40.8 0.5 . 1 . . . . . . . . 5904 1 789 . 1 1 91 91 LYS N N 15 122.1 0.5 . 1 . . . . . . . . 5904 1 790 . 1 1 92 92 THR H H 1 8.10 0.2 . 1 . . . . . . . . 5904 1 791 . 1 1 92 92 THR HA H 1 4.27 0.2 . 1 . . . . . . . . 5904 1 792 . 1 1 92 92 THR HB H 1 4.18 0.2 . 1 . . . . . . . . 5904 1 793 . 1 1 92 92 THR HG21 H 1 1.43 0.2 . 1 . . . . . . . . 5904 1 794 . 1 1 92 92 THR HG22 H 1 1.43 0.2 . 1 . . . . . . . . 5904 1 795 . 1 1 92 92 THR HG23 H 1 1.43 0.2 . 1 . . . . . . . . 5904 1 796 . 1 1 92 92 THR C C 13 174.5 0.5 . 1 . . . . . . . . 5904 1 797 . 1 1 92 92 THR CA C 13 61.4 0.5 . 1 . . . . . . . . 5904 1 798 . 1 1 92 92 THR CB C 13 69.4 0.5 . 1 . . . . . . . . 5904 1 799 . 1 1 92 92 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5904 1 800 . 1 1 92 92 THR N N 15 114.6 0.5 . 1 . . . . . . . . 5904 1 801 . 1 1 93 93 HIS H H 1 8.55 0.2 . 1 . . . . . . . . 5904 1 802 . 1 1 93 93 HIS HA H 1 4.69 0.2 . 1 . . . . . . . . 5904 1 803 . 1 1 93 93 HIS HB2 H 1 3.14 0.2 . 2 . . . . . . . . 5904 1 804 . 1 1 93 93 HIS HB3 H 1 3.22 0.2 . 2 . . . . . . . . 5904 1 805 . 1 1 93 93 HIS C C 13 174.4 0.5 . 1 . . . . . . . . 5904 1 806 . 1 1 93 93 HIS CA C 13 55.1 0.5 . 1 . . . . . . . . 5904 1 807 . 1 1 93 93 HIS CB C 13 28.7 0.5 . 1 . . . . . . . . 5904 1 808 . 1 1 93 93 HIS N N 15 120.5 0.5 . 1 . . . . . . . . 5904 1 809 . 1 1 94 94 GLU H H 1 8.53 0.2 . 1 . . . . . . . . 5904 1 810 . 1 1 94 94 GLU HA H 1 4.26 0.2 . 1 . . . . . . . . 5904 1 811 . 1 1 94 94 GLU HB2 H 1 1.91 0.2 . 2 . . . . . . . . 5904 1 812 . 1 1 94 94 GLU HB3 H 1 2.01 0.2 . 2 . . . . . . . . 5904 1 813 . 1 1 94 94 GLU HG2 H 1 2.22 0.2 . 2 . . . . . . . . 5904 1 814 . 1 1 94 94 GLU C C 13 176.5 0.5 . 1 . . . . . . . . 5904 1 815 . 1 1 94 94 GLU CA C 13 56.2 0.5 . 1 . . . . . . . . 5904 1 816 . 1 1 94 94 GLU CB C 13 29.5 0.5 . 1 . . . . . . . . 5904 1 817 . 1 1 94 94 GLU CG C 13 35.8 0.5 . 1 . . . . . . . . 5904 1 818 . 1 1 94 94 GLU N N 15 122.8 0.5 . 1 . . . . . . . . 5904 1 819 . 1 1 95 95 ARG H H 1 8.59 0.2 . 1 . . . . . . . . 5904 1 820 . 1 1 95 95 ARG HA H 1 4.30 0.2 . 1 . . . . . . . . 5904 1 821 . 1 1 95 95 ARG HB2 H 1 1.82 0.2 . 2 . . . . . . . . 5904 1 822 . 1 1 95 95 ARG HG2 H 1 1.74 0.2 . 2 . . . . . . . . 5904 1 823 . 1 1 95 95 ARG HD2 H 1 3.18 0.2 . 2 . . . . . . . . 5904 1 824 . 1 1 95 95 ARG C C 13 176.9 0.5 . 1 . . . . . . . . 5904 1 825 . 1 1 95 95 ARG CA C 13 56.2 0.5 . 1 . . . . . . . . 5904 1 826 . 1 1 95 95 ARG CB C 13 29.9 0.5 . 1 . . . . . . . . 5904 1 827 . 1 1 95 95 ARG CG C 13 26.8 0.5 . 1 . . . . . . . . 5904 1 828 . 1 1 95 95 ARG N N 15 122.9 0.5 . 1 . . . . . . . . 5904 1 829 . 1 1 96 96 GLY H H 1 8.56 0.2 . 1 . . . . . . . . 5904 1 830 . 1 1 96 96 GLY HA2 H 1 3.98 0.2 . 2 . . . . . . . . 5904 1 831 . 1 1 96 96 GLY C C 13 174.1 0.5 . 1 . . . . . . . . 5904 1 832 . 1 1 96 96 GLY CA C 13 45.0 0.5 . 1 . . . . . . . . 5904 1 833 . 1 1 96 96 GLY N N 15 110.6 0.5 . 1 . . . . . . . . 5904 1 834 . 1 1 97 97 SER H H 1 8.23 0.2 . 1 . . . . . . . . 5904 1 835 . 1 1 97 97 SER HA H 1 4.44 0.2 . 1 . . . . . . . . 5904 1 836 . 1 1 97 97 SER HB2 H 1 3.84 0.2 . 2 . . . . . . . . 5904 1 837 . 1 1 97 97 SER C C 13 174.5 0.5 . 1 . . . . . . . . 5904 1 838 . 1 1 97 97 SER CA C 13 58.0 0.5 . 1 . . . . . . . . 5904 1 839 . 1 1 97 97 SER CB C 13 63.6 0.5 . 1 . . . . . . . . 5904 1 840 . 1 1 97 97 SER N N 15 115.7 0.5 . 1 . . . . . . . . 5904 1 841 . 1 1 98 98 LYS H H 1 8.44 0.2 . 1 . . . . . . . . 5904 1 842 . 1 1 98 98 LYS HA H 1 4.34 0.2 . 1 . . . . . . . . 5904 1 843 . 1 1 98 98 LYS HB2 H 1 1.73 0.2 . 2 . . . . . . . . 5904 1 844 . 1 1 98 98 LYS HB3 H 1 1.81 0.2 . 2 . . . . . . . . 5904 1 845 . 1 1 98 98 LYS HG2 H 1 1.37 0.2 . 2 . . . . . . . . 5904 1 846 . 1 1 98 98 LYS C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 847 . 1 1 98 98 LYS CA C 13 55.8 0.5 . 1 . . . . . . . . 5904 1 848 . 1 1 98 98 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . 5904 1 849 . 1 1 98 98 LYS CG C 13 24.3 0.5 . 1 . . . . . . . . 5904 1 850 . 1 1 98 98 LYS CD C 13 28.9 0.5 . 1 . . . . . . . . 5904 1 851 . 1 1 98 98 LYS CE C 13 41.6 0.5 . 1 . . . . . . . . 5904 1 852 . 1 1 98 98 LYS N N 15 123.1 0.5 . 1 . . . . . . . . 5904 1 853 . 1 1 99 99 GLU H H 1 8.40 0.2 . 1 . . . . . . . . 5904 1 854 . 1 1 99 99 GLU HA H 1 4.54 0.2 . 1 . . . . . . . . 5904 1 855 . 1 1 99 99 GLU HB2 H 1 1.87 0.2 . 2 . . . . . . . . 5904 1 856 . 1 1 99 99 GLU HB3 H 1 1.81 0.2 . 2 . . . . . . . . 5904 1 857 . 1 1 99 99 GLU HG2 H 1 1.37 0.2 . 2 . . . . . . . . 5904 1 858 . 1 1 99 99 GLU C C 13 174.6 0.5 . 1 . . . . . . . . 5904 1 859 . 1 1 99 99 GLU CA C 13 54.1 0.5 . 1 . . . . . . . . 5904 1 860 . 1 1 99 99 GLU CB C 13 28.9 0.5 . 1 . . . . . . . . 5904 1 861 . 1 1 99 99 GLU N N 15 123.6 0.5 . 1 . . . . . . . . 5904 1 862 . 1 1 100 100 PRO HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 863 . 1 1 100 100 PRO HB2 H 1 1.93 0.2 . 2 . . . . . . . . 5904 1 864 . 1 1 100 100 PRO HB3 H 1 2.29 0.2 . 2 . . . . . . . . 5904 1 865 . 1 1 100 100 PRO C C 13 177.0 0.5 . 1 . . . . . . . . 5904 1 866 . 1 1 100 100 PRO CA C 13 62.9 0.5 . 1 . . . . . . . . 5904 1 867 . 1 1 100 100 PRO CB C 13 31.8 0.5 . 1 . . . . . . . . 5904 1 868 . 1 1 100 100 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 5904 1 869 . 1 1 101 101 SER H H 1 8.52 0.2 . 1 . . . . . . . . 5904 1 870 . 1 1 101 101 SER HA H 1 4.47 0.2 . 1 . . . . . . . . 5904 1 871 . 1 1 101 101 SER HB2 H 1 3.88 0.2 . 2 . . . . . . . . 5904 1 872 . 1 1 101 101 SER C C 13 174.9 0.5 . 1 . . . . . . . . 5904 1 873 . 1 1 101 101 SER CA C 13 58.1 0.5 . 1 . . . . . . . . 5904 1 874 . 1 1 101 101 SER CB C 13 63.5 0.5 . 1 . . . . . . . . 5904 1 875 . 1 1 101 101 SER N N 15 116.3 0.5 . 1 . . . . . . . . 5904 1 876 . 1 1 102 102 THR H H 1 8.19 0.2 . 1 . . . . . . . . 5904 1 877 . 1 1 102 102 THR HA H 1 4.24 0.2 . 1 . . . . . . . . 5904 1 878 . 1 1 102 102 THR HB H 1 4.24 0.2 . 1 . . . . . . . . 5904 1 879 . 1 1 102 102 THR HG21 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 880 . 1 1 102 102 THR HG22 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 881 . 1 1 102 102 THR HG23 H 1 1.16 0.2 . 1 . . . . . . . . 5904 1 882 . 1 1 102 102 THR C C 13 174.2 0.5 . 1 . . . . . . . . 5904 1 883 . 1 1 102 102 THR CA C 13 61.6 0.5 . 1 . . . . . . . . 5904 1 884 . 1 1 102 102 THR CB C 13 69.4 0.5 . 1 . . . . . . . . 5904 1 885 . 1 1 102 102 THR CG2 C 13 21.5 0.5 . 1 . . . . . . . . 5904 1 886 . 1 1 102 102 THR N N 15 116.1 0.5 . 1 . . . . . . . . 5904 1 887 . 1 1 103 103 LYS H H 1 8.31 0.2 . 1 . . . . . . . . 5904 1 888 . 1 1 103 103 LYS HA H 1 4.46 0.2 . 1 . . . . . . . . 5904 1 889 . 1 1 103 103 LYS HB2 H 1 2.04 0.2 . 2 . . . . . . . . 5904 1 890 . 1 1 103 103 LYS HG2 H 1 2.53 0.2 . 2 . . . . . . . . 5904 1 891 . 1 1 103 103 LYS C C 13 176.2 0.5 . 1 . . . . . . . . 5904 1 892 . 1 1 103 103 LYS CA C 13 55.8 0.5 . 1 . . . . . . . . 5904 1 893 . 1 1 103 103 LYS CB C 13 32.5 0.5 . 1 . . . . . . . . 5904 1 894 . 1 1 103 103 LYS CG C 13 21.3 0.5 . 1 . . . . . . . . 5904 1 895 . 1 1 103 103 LYS N N 15 123.7 0.5 . 1 . . . . . . . . 5904 1 896 . 1 1 104 104 GLU H H 1 8.44 0.2 . 1 . . . . . . . . 5904 1 897 . 1 1 104 104 GLU HA H 1 4.56 0.2 . 1 . . . . . . . . 5904 1 898 . 1 1 104 104 GLU HB2 H 1 1.90 0.2 . 2 . . . . . . . . 5904 1 899 . 1 1 104 104 GLU HB3 H 1 2.05 0.2 . 2 . . . . . . . . 5904 1 900 . 1 1 104 104 GLU HG2 H 1 2.29 0.2 . 2 . . . . . . . . 5904 1 901 . 1 1 104 104 GLU C C 13 176.2 0.5 . 1 . . . . . . . . 5904 1 902 . 1 1 104 104 GLU CA C 13 54.1 0.5 . 1 . . . . . . . . 5904 1 903 . 1 1 104 104 GLU CB C 13 28.9 0.5 . 1 . . . . . . . . 5904 1 904 . 1 1 104 104 GLU N N 15 123.9 0.5 . 1 . . . . . . . . 5904 1 905 . 1 1 105 105 PRO HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 906 . 1 1 105 105 PRO HB2 H 1 1.92 0.2 . 2 . . . . . . . . 5904 1 907 . 1 1 105 105 PRO HB3 H 1 2.30 0.2 . 2 . . . . . . . . 5904 1 908 . 1 1 105 105 PRO C C 13 177.0 0.5 . 1 . . . . . . . . 5904 1 909 . 1 1 105 105 PRO CA C 13 62.9 0.5 . 1 . . . . . . . . 5904 1 910 . 1 1 105 105 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 5904 1 911 . 1 1 105 105 PRO CG C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 912 . 1 1 105 105 PRO N N 15 116.1 0.5 . 1 . . . . . . . . 5904 1 913 . 1 1 106 106 SER H H 1 8.50 0.2 . 1 . . . . . . . . 5904 1 914 . 1 1 106 106 SER HA H 1 4.45 0.2 . 1 . . . . . . . . 5904 1 915 . 1 1 106 106 SER HB2 H 1 3.85 0.2 . 2 . . . . . . . . 5904 1 916 . 1 1 106 106 SER C C 13 174.9 0.5 . 1 . . . . . . . . 5904 1 917 . 1 1 106 106 SER CA C 13 58.1 0.5 . 1 . . . . . . . . 5904 1 918 . 1 1 106 106 SER CB C 13 63.5 0.5 . 1 . . . . . . . . 5904 1 919 . 1 1 106 106 SER N N 15 116.1 0.5 . 1 . . . . . . . . 5904 1 920 . 1 1 107 107 THR H H 1 8.10 0.2 . 1 . . . . . . . . 5904 1 921 . 1 1 107 107 THR HA H 1 4.25 0.2 . 1 . . . . . . . . 5904 1 922 . 1 1 107 107 THR HB H 1 4.17 0.2 . 1 . . . . . . . . 5904 1 923 . 1 1 107 107 THR HG21 H 1 1.09 0.2 . 1 . . . . . . . . 5904 1 924 . 1 1 107 107 THR HG22 H 1 1.09 0.2 . 1 . . . . . . . . 5904 1 925 . 1 1 107 107 THR HG23 H 1 1.09 0.2 . 1 . . . . . . . . 5904 1 926 . 1 1 107 107 THR C C 13 174.2 0.5 . 1 . . . . . . . . 5904 1 927 . 1 1 107 107 THR CA C 13 61.6 0.5 . 1 . . . . . . . . 5904 1 928 . 1 1 107 107 THR CB C 13 69.3 0.5 . 1 . . . . . . . . 5904 1 929 . 1 1 107 107 THR CG2 C 13 21.3 0.5 . 1 . . . . . . . . 5904 1 930 . 1 1 107 107 THR N N 15 115.4 0.5 . 1 . . . . . . . . 5904 1 931 . 1 1 108 108 HIS H H 1 8.50 0.2 . 1 . . . . . . . . 5904 1 932 . 1 1 108 108 HIS HA H 1 4.68 0.2 . 1 . . . . . . . . 5904 1 933 . 1 1 108 108 HIS HB2 H 1 3.14 0.2 . 2 . . . . . . . . 5904 1 934 . 1 1 108 108 HIS C C 13 175.5 0.5 . 1 . . . . . . . . 5904 1 935 . 1 1 108 108 HIS CA C 13 55.0 0.5 . 1 . . . . . . . . 5904 1 936 . 1 1 108 108 HIS CB C 13 28.9 0.5 . 1 . . . . . . . . 5904 1 937 . 1 1 108 108 HIS N N 15 121.3 0.5 . 1 . . . . . . . . 5904 1 938 . 1 1 109 109 ILE H H 1 8.26 0.2 . 1 . . . . . . . . 5904 1 939 . 1 1 109 109 ILE HA H 1 4.38 0.2 . 1 . . . . . . . . 5904 1 940 . 1 1 109 109 ILE HB H 1 1.79 0.2 . 1 . . . . . . . . 5904 1 941 . 1 1 109 109 ILE HG12 H 1 1.03 0.2 . 2 . . . . . . . . 5904 1 942 . 1 1 109 109 ILE HD11 H 1 0.80 0.2 . 1 . . . . . . . . 5904 1 943 . 1 1 109 109 ILE HD12 H 1 0.80 0.2 . 1 . . . . . . . . 5904 1 944 . 1 1 109 109 ILE HD13 H 1 0.80 0.2 . 1 . . . . . . . . 5904 1 945 . 1 1 109 109 ILE C C 13 174.0 0.5 . 1 . . . . . . . . 5904 1 946 . 1 1 109 109 ILE CA C 13 58.3 0.5 . 1 . . . . . . . . 5904 1 947 . 1 1 109 109 ILE CB C 13 37.8 0.5 . 1 . . . . . . . . 5904 1 948 . 1 1 109 109 ILE N N 15 125.0 0.5 . 1 . . . . . . . . 5904 1 949 . 1 1 111 111 PRO HA H 1 4.43 0.2 . 1 . . . . . . . . 5904 1 950 . 1 1 111 111 PRO HB2 H 1 1.91 0.2 . 2 . . . . . . . . 5904 1 951 . 1 1 111 111 PRO HB3 H 1 2.14 0.2 . 2 . . . . . . . . 5904 1 952 . 1 1 111 111 PRO C C 13 177.0 0.5 . 1 . . . . . . . . 5904 1 953 . 1 1 111 111 PRO CA C 13 62.4 0.5 . 1 . . . . . . . . 5904 1 954 . 1 1 111 111 PRO CB C 13 31.8 0.5 . 1 . . . . . . . . 5904 1 955 . 1 1 111 111 PRO CG C 13 26.9 0.5 . 1 . . . . . . . . 5904 1 956 . 1 1 112 112 LEU H H 1 8.35 0.2 . 1 . . . . . . . . 5904 1 957 . 1 1 112 112 LEU HA H 1 4.25 0.2 . 1 . . . . . . . . 5904 1 958 . 1 1 112 112 LEU HB2 H 1 1.56 0.2 . 2 . . . . . . . . 5904 1 959 . 1 1 112 112 LEU HG H 1 1.57 0.2 . 1 . . . . . . . . 5904 1 960 . 1 1 112 112 LEU C C 13 177.3 0.5 . 1 . . . . . . . . 5904 1 961 . 1 1 112 112 LEU CA C 13 55.1 0.5 . 1 . . . . . . . . 5904 1 962 . 1 1 112 112 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 5904 1 963 . 1 1 112 112 LEU CG C 13 26.7 0.5 . 1 . . . . . . . . 5904 1 964 . 1 1 112 112 LEU CD1 C 13 24.8 0.5 . 1 . . . . . . . . 5904 1 965 . 1 1 112 112 LEU N N 15 122.3 0.5 . 1 . . . . . . . . 5904 1 966 . 1 1 113 113 ASP H H 1 8.37 0.2 . 1 . . . . . . . . 5904 1 967 . 1 1 113 113 ASP HA H 1 4.59 0.2 . 1 . . . . . . . . 5904 1 968 . 1 1 113 113 ASP HB2 H 1 2.66 0.2 . 2 . . . . . . . . 5904 1 969 . 1 1 113 113 ASP C C 13 176.3 0.5 . 1 . . . . . . . . 5904 1 970 . 1 1 113 113 ASP CA C 13 53.7 0.5 . 1 . . . . . . . . 5904 1 971 . 1 1 113 113 ASP CB C 13 40.5 0.5 . 1 . . . . . . . . 5904 1 972 . 1 1 113 113 ASP N N 15 121.0 0.5 . 1 . . . . . . . . 5904 1 973 . 1 1 114 114 SER H H 1 8.26 0.2 . 1 . . . . . . . . 5904 1 974 . 1 1 114 114 SER HA H 1 4.39 0.2 . 1 . . . . . . . . 5904 1 975 . 1 1 114 114 SER HB2 H 1 3.87 0.2 . 2 . . . . . . . . 5904 1 976 . 1 1 114 114 SER C C 13 174.9 0.5 . 1 . . . . . . . . 5904 1 977 . 1 1 114 114 SER CA C 13 58.3 0.5 . 1 . . . . . . . . 5904 1 978 . 1 1 114 114 SER CB C 13 63.2 0.5 . 1 . . . . . . . . 5904 1 979 . 1 1 114 114 SER N N 15 116.6 0.5 . 1 . . . . . . . . 5904 1 980 . 1 1 115 115 LYS H H 1 8.39 0.2 . 1 . . . . . . . . 5904 1 981 . 1 1 115 115 LYS HA H 1 4.30 0.2 . 1 . . . . . . . . 5904 1 982 . 1 1 115 115 LYS HB2 H 1 1.82 0.2 . 2 . . . . . . . . 5904 1 983 . 1 1 115 115 LYS HG2 H 1 1.38 0.2 . 2 . . . . . . . . 5904 1 984 . 1 1 115 115 LYS C C 13 177.3 0.5 . 1 . . . . . . . . 5904 1 985 . 1 1 115 115 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 5904 1 986 . 1 1 115 115 LYS CB C 13 32.0 0.5 . 1 . . . . . . . . 5904 1 987 . 1 1 115 115 LYS N N 15 122.9 0.5 . 1 . . . . . . . . 5904 1 988 . 1 1 116 116 GLY H H 1 8.36 0.2 . 1 . . . . . . . . 5904 1 989 . 1 1 116 116 GLY HA2 H 1 3.93 0.2 . 2 . . . . . . . . 5904 1 990 . 1 1 116 116 GLY C C 13 174.1 0.5 . 1 . . . . . . . . 5904 1 991 . 1 1 116 116 GLY CA C 13 45.0 0.5 . 1 . . . . . . . . 5904 1 992 . 1 1 116 116 GLY N N 15 109.6 0.5 . 1 . . . . . . . . 5904 1 993 . 1 1 117 117 ALA H H 1 8.46 0.2 . 1 . . . . . . . . 5904 1 994 . 1 1 117 117 ALA HA H 1 4.29 0.2 . 1 . . . . . . . . 5904 1 995 . 1 1 117 117 ALA HB1 H 1 1.36 0.2 . 1 . . . . . . . . 5904 1 996 . 1 1 117 117 ALA HB2 H 1 1.36 0.2 . 1 . . . . . . . . 5904 1 997 . 1 1 117 117 ALA HB3 H 1 1.36 0.2 . 1 . . . . . . . . 5904 1 998 . 1 1 117 117 ALA C C 13 177.7 0.5 . 1 . . . . . . . . 5904 1 999 . 1 1 117 117 ALA CA C 13 52.4 0.5 . 1 . . . . . . . . 5904 1 1000 . 1 1 117 117 ALA CB C 13 18.5 0.5 . 1 . . . . . . . . 5904 1 1001 . 1 1 117 117 ALA N N 15 123.8 0.5 . 1 . . . . . . . . 5904 1 1002 . 1 1 118 118 ASN H H 1 8.46 0.2 . 1 . . . . . . . . 5904 1 1003 . 1 1 118 118 ASN HA H 1 4.73 0.2 . 1 . . . . . . . . 5904 1 1004 . 1 1 118 118 ASN HB2 H 1 2.73 0.2 . 2 . . . . . . . . 5904 1 1005 . 1 1 118 118 ASN HB3 H 1 2.83 0.2 . 2 . . . . . . . . 5904 1 1006 . 1 1 118 118 ASN C C 13 174.7 0.5 . 1 . . . . . . . . 5904 1 1007 . 1 1 118 118 ASN CA C 13 52.8 0.5 . 1 . . . . . . . . 5904 1 1008 . 1 1 118 118 ASN CB C 13 38.3 0.5 . 1 . . . . . . . . 5904 1 1009 . 1 1 118 118 ASN N N 15 117.4 0.5 . 1 . . . . . . . . 5904 1 1010 . 1 1 119 119 SER H H 1 8.18 0.2 . 1 . . . . . . . . 5904 1 1011 . 1 1 119 119 SER HA H 1 4.47 0.2 . 1 . . . . . . . . 5904 1 1012 . 1 1 119 119 SER HB2 H 1 3.84 0.2 . 2 . . . . . . . . 5904 1 1013 . 1 1 119 119 SER C C 13 173.5 0.5 . 1 . . . . . . . . 5904 1 1014 . 1 1 119 119 SER CA C 13 58.1 0.5 . 1 . . . . . . . . 5904 1 1015 . 1 1 119 119 SER CB C 13 63.5 0.5 . 1 . . . . . . . . 5904 1 1016 . 1 1 119 119 SER N N 15 116.4 0.5 . 1 . . . . . . . . 5904 1 1017 . 1 1 120 120 VAL H H 1 7.77 0.2 . 1 . . . . . . . . 5904 1 1018 . 1 1 120 120 VAL HA H 1 4.04 0.2 . 1 . . . . . . . . 5904 1 1019 . 1 1 120 120 VAL HB H 1 2.06 0.2 . 1 . . . . . . . . 5904 1 1020 . 1 1 120 120 VAL HG11 H 1 0.83 0.2 . 2 . . . . . . . . 5904 1 1021 . 1 1 120 120 VAL HG12 H 1 0.83 0.2 . 2 . . . . . . . . 5904 1 1022 . 1 1 120 120 VAL HG13 H 1 0.83 0.2 . 2 . . . . . . . . 5904 1 1023 . 1 1 120 120 VAL C C 13 172.5 0.5 . 1 . . . . . . . . 5904 1 1024 . 1 1 120 120 VAL CA C 13 63.3 0.5 . 1 . . . . . . . . 5904 1 1025 . 1 1 120 120 VAL CB C 13 32.5 0.5 . 1 . . . . . . . . 5904 1 1026 . 1 1 120 120 VAL N N 15 125.3 0.5 . 1 . . . . . . . . 5904 1 stop_ save_